U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C18H15Cl2NO6S
Molecular Weight 444.286
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-CHLORO-5-((2-CHLORO-4-(METHYLSULFONYL)BENZOYL)AMINO)-.GAMMA.-OXO-BENZENEBUTANOIC ACID

SMILES

CS(=O)(=O)C1=CC(Cl)=C(C=C1)C(=O)NC2=CC(C(=O)CCC(O)=O)=C(Cl)C=C2

InChI

InChIKey=JQBRYJUQRAGUAR-UHFFFAOYSA-N
InChI=1S/C18H15Cl2NO6S/c1-28(26,27)11-3-4-12(15(20)9-11)18(25)21-10-2-5-14(19)13(8-10)16(22)6-7-17(23)24/h2-5,8-9H,6-7H2,1H3,(H,21,25)(H,23,24)

HIDE SMILES / InChI

Molecular Formula C18H15Cl2NO6S
Molecular Weight 444.286
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Record UNII
CBW6F4TDT7
Record Status Validated (UNII)
Record Version