3-(butanoylamino)-4-(4-chlorophenyl)sulfonyl-benzoic acid

Systemtic Name: 3-(butanoylamino)-4-(4-chlorophenyl)sulfonyl-benzoic acid Openeye Name: 3-(butanoylamino)-4-(4-chlorophenyl)sulfonyl-benzoic acid CAS Name: 4-(4-chlorophenyl)sulfonyl-3-(1-oxobutylamino)benzoic acid IUPAC Name: 3-(butanoylamino)-4-(4-chlorophenyl)sulfonylbenzoic acid Traditional Name: 3-butyramido-4-(4-chlorophenyl)sulfonyl-benzoic acid Formula: C17H16ClNO5S MolecularWeight: 381.83064

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1=C(C=CC(=C1)C(=O)O)S(=O)(=O)C2=CC=C(C=C2)Cl

Isomeric SMILES

CCCC(=O)NC1=C(C=CC(=C1)C(=O)O)S(=O)(=O)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C17H16ClNO5S/c1-2-3-16(20)19-14-10-11(17(21)22)4-9-15(14)25(23,24)13-7-5-12(18)6-8-13/h4-10H,2-3H2,1H3,(H,19,20)(H,21,22)