N-[4-[2,4-Bis(1,1-dimethylpropyl)phenoxy]butyl]-1-hydroxy-4-[[[3-[[[4-hydroxy-8-[2-[2-(methylsulfonyl)-4-nitrophenyl]diazenyl]-1-naphthalenyl]amino]sulfonyl]phenyl]sulfonyl]amino]-2-naphthalenecarboxamide

Details

Stereochemistry	ACHIRAL
Molecular Formula	C54H58N6O12S3
Molecular Weight	1079.266
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure of N-[4-[2,4-Bis(1,1-dimethylpropyl)phenoxy]butyl]-1-hydroxy-4-[[[3-[[[4-hydroxy-8-[2-[2-(methylsulfonyl)-4-nitrophenyl]diazenyl]-1-naphthalenyl]amino]sulfonyl]phenyl]sulfonyl]amino]-2-naphthalenecarboxamide

Structure Search

SMILES

CCC(C)(C)C1=CC=C(OCCCCNC(=O)C2=CC(NS(=O)(=O)C3=CC=CC(=C3)S(=O)(=O)NC4=C5C(=CC=CC5=C(O)C=C4)\N=N/C6=CC=C(C=C6S(C)(=O)=O)[N+]([O-])=O)=C7C=CC=CC7=C2O)C(=C1)C(C)(C)CC

InChI

InChIKey=HZPBCZNMTORVAS-BWQZGDHCSA-N

InChI=1S/C54H58N6O12S3/c1-8-53(3,4)34-22-27-48(42(30-34)54(5,6)9-2)72-29-13-12-28-55-52(63)41-33-46(38-18-10-11-19-39(38)51(41)62)59-75(70,71)37-17-14-16-36(32-37)74(68,69)58-45-25-26-47(61)40-20-15-21-44(50(40)45)57-56-43-24-23-35(60(64)65)31-49(43)73(7,66)67/h10-11,14-27,30-33,58-59,61-62H,8-9,12-13,28-29H2,1-7H3,(H,55,63)/b57-56-

HIDE SMILES / InChI

Molecular Formula	C54H58N6O12S3
Molecular Weight	1079.266
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	1
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 12:24:15 GMT 2023` Edited by `admin` on `Sat Dec 16 12:24:15 GMT 2023`
Record UNII	SR62EF9RXH
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

N-[4-[2,4-Bis(1,1-dimethylpropyl)phenoxy]butyl]-1-hydroxy-4-[[[3-[[[4-hydroxy-8-[2-[2-(methylsulfonyl)-4-nitrophenyl]diazenyl]-1-naphthalenyl]amino]sulfonyl]phenyl]sulfonyl]amino]-2-naphthalenecarboxamide

Systematic Name

English

2-Naphthalenecarboxamide, N-[4-[2,4-bis(1,1-dimethylpropyl)phenoxy]butyl]-1-hydroxy-4-[[[3-[[[4-hydroxy-8-[[2-(methylsulfonyl)-4-nitrophenyl]azo]-1-naphthalenyl]amino]sulfonyl]phenyl]sulfonyl]amino]-

Systematic Name

English

2-Naphthalenecarboxamide, N-[4-[2,4-bis(1,1-dimethylpropyl)phenoxy]butyl]-1-hydroxy-4-[[[3-[[[4-hydroxy-8-[2-[2-(methylsulfonyl)-4-nitrophenyl]diazenyl]-1-naphthalenyl]amino]sulfonyl]phenyl]sulfonyl]amino]-

Systematic Name

English

Code System Code Type Description

EPA CompTox

DTXSID7069657