4-(2-CHLORO-5-((2-CHLORO-4-(METHYLSULFONYL)BENZOYL)AMINO)PHENYL)-4-(FORMYLAMINO)-3-BUTENOIC ACID

Details

Stereochemistry	ACHIRAL
Molecular Formula	C19H16Cl2N2O6S
Molecular Weight	471.311
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	1
Charge	0
Stereo Comments	ASSUMED CIS FROM PYRIDINE

SHOW SMILES / InChI

Structure of 4-(2-CHLORO-5-((2-CHLORO-4-(METHYLSULFONYL)BENZOYL)AMINO)PHENYL)-4-(FORMYLAMINO)-3-BUTENOIC ACID

Structure Search

SMILES

CS(=O)(=O)C1=CC(Cl)=C(C=C1)C(=O)NC2=CC=C(Cl)C(=C2)C(\NC=O)=C\CC(O)=O

InChI

InChIKey=CMVGKDFIIUITFA-FMQZQXMHSA-N

InChI=1S/C19H16Cl2N2O6S/c1-30(28,29)12-3-4-13(16(21)9-12)19(27)23-11-2-5-15(20)14(8-11)17(22-10-24)6-7-18(25)26/h2-6,8-10H,7H2,1H3,(H,22,24)(H,23,27)(H,25,26)/b17-6-

HIDE SMILES / InChI

Approval Year

Name

Type

Language

4-(2-CHLORO-5-((2-CHLORO-4-(METHYLSULFONYL)BENZOYL)AMINO)PHENYL)-4-(FORMYLAMINO)-3-BUTENOIC ACID

Systematic Name

English

3-BUTENOIC ACID, 4-(2-CHLORO-5-((2-CHLORO-4-(METHYLSULFONYL)BENZOYL)AMINO)PHENYL)-4-(FORMYLAMINO)-

Systematic Name

English

VISMODEGIB (M18)

Common Name

English

Code System Code Type Description

PUBCHEM

156028037

Created by admin on Sat Dec 16 18:59:15 GMT 2023 , Edited by admin on Sat Dec 16 18:59:15 GMT 2023

PRIMARY

FDA UNII

48FDP86K2T

Created by admin on Sat Dec 16 18:59:15 GMT 2023 , Edited by admin on Sat Dec 16 18:59:15 GMT 2023

PRIMARY

CAS

1370024-22-8

Created by admin on Sat Dec 16 18:59:15 GMT 2023 , Edited by admin on Sat Dec 16 18:59:15 GMT 2023

NON-SPECIFIC STEREOCHEMISTRY

PARENT (METABOLITE)


					25X868M3DS

VISMODEGIB

SUBSTANCE RECORD


					48FDP86K2T

4-(2-CHLORO-5-((2-CHLORO-4-(METHYLSULFONYL)BENZOYL)AMINO)PHENYL)-4-(FORMYLAMINO)-3-BUTENOIC ACID