N-(2-Chloroethyl)-3-[ethyl[4-[(5-nitro-2,1-benzisothiazol-3-yl)azo]phenyl]amino]propionamide

Details

Stereochemistry	ACHIRAL
Molecular Formula	C20H21ClN6O3S
Molecular Weight	460.937
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure of N-(2-Chloroethyl)-3-[ethyl[4-[(5-nitro-2,1-benzisothiazol-3-yl)azo]phenyl]amino]propionamide

Structure Search

SMILES

CCN(CCC(=O)NCCCl)C1=CC=C(C=C1)\N=N\C2=C3C=C(C=CC3=NS2)[N+]([O-])=O

InChI

InChIKey=UDSMBLVBRYEGJY-WCWDXBQESA-N

InChI=1S/C20H21ClN6O3S/c1-2-26(12-9-19(28)22-11-10-21)15-5-3-14(4-6-15)23-24-20-17-13-16(27(29)30)7-8-18(17)25-31-20/h3-8,13H,2,9-12H2,1H3,(H,22,28)/b24-23+

HIDE SMILES / InChI

Molecular Formula	C20H21ClN6O3S
Molecular Weight	460.937
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 10:41:40 GMT 2023` Edited by `admin` on `Sat Dec 16 10:41:40 GMT 2023`
Record UNII	N5YVD6B7ZL
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

N-(2-Chloroethyl)-3-[ethyl[4-[(5-nitro-2,1-benzisothiazol-3-yl)azo]phenyl]amino]propionamide

Systematic Name

English

Propanamide, N-(2-chloroethyl)-3-[ethyl[4-[(5-nitro-2,1-benzisothiazol-3-yl)azo]phenyl]amino]-

Systematic Name

English

Propanamide, N-(2-chloroethyl)-3-[ethyl[4-[2-(5-nitro-2,1-benzisothiazol-3-yl)diazenyl]phenyl]amino]-

Systematic Name

English

N-(2-Chloroethyl)-3-[ethyl[4-[2-(5-nitro-2,1-benzisothiazol-3-yl)diazenyl]phenyl]amino]propanamide

Systematic Name

English

Code System Code Type Description

EPA CompTox

DTXSID901115211