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

Molecular Formula	C19H16Cl2N2O6S
Molecular Weight	471.311
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 18:59:15 UTC 2023` Edited by `admin` on `Sat Dec 16 18:59:15 UTC 2023`
Record UNII	48FDP86K2T
Record Status	`Validated (UNII)`
Record Version

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

PRIMARY

FDA UNII

48FDP86K2T

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

PRIMARY

CAS

1370024-22-8

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

NON-SPECIFIC STEREOCHEMISTRY

Related Record Type Details


					25X868M3DS

VISMODEGIB

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