3-[4-(2-Cyanoethyl)-4,5-dihydro-5-oxo-3-[4-[(1-oxohexadecyl)amino]phenyl]-1H-pyrazol-1-yl]benzenesulfonic acid

Details

Stereochemistry	ACHIRAL
Molecular Formula	C34H46N4O5S
Molecular Weight	622.8202
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 3-[4-(2-Cyanoethyl)-4,5-dihydro-5-oxo-3-[4-[(1-oxohexadecyl)amino]phenyl]-1H-pyrazol-1-yl]benzenesulfonic acid

Structure Search

SMILES

CCCCCCCCCCCCCCCC(=O)NC1=CC=C(C=C1)C2=NN(C(O)=C2CCC#N)C3=CC(=CC=C3)S(O)(=O)=O

InChI

InChIKey=IZGBOHQISNERQO-UHFFFAOYSA-N

InChI=1S/C34H46N4O5S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-20-32(39)36-28-23-21-27(22-24-28)33-31(19-16-25-35)34(40)38(37-33)29-17-15-18-30(26-29)44(41,42)43/h15,17-18,21-24,26,40H,2-14,16,19-20H2,1H3,(H,36,39)(H,41,42,43)

HIDE SMILES / InChI

Molecular Formula	C34H46N4O5S
Molecular Weight	622.8202
Charge	0
Count

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

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 19:40:36 GMT 2025` Edited by `admin` on `Wed Apr 02 19:40:36 GMT 2025`
Record UNII	82N924Q3EJ
Record Status	`FAILED`
Record Version

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Name

Type

Language

3-[4-(2-Cyanoethyl)-4,5-dihydro-5-oxo-3-[4-[(1-oxohexadecyl)amino]phenyl]-1H-pyrazol-1-yl]benzenesulfonic acid

Systematic Name

English

Benzenesulfonic acid, 3-[4-(2-cyanoethyl)-4,5-dihydro-5-oxo-3-[4-[(1-oxohexadecyl)amino]phenyl]-1H-pyrazol-1-yl]-

Preferred Name

English

m-[4-(2-Cyanoethyl)-4,5-dihydro-5-oxo-3-[4-[(1-oxohexadecyl)amino]phenyl]-1H-pyrazol-1-yl]benzenesulfonic acid

Systematic Name

English

Code System Code Type Description

CAS

94944-74-8