3-[2-(4-aminophenyl)sulfanylbutanoylamino]-4-chloranyl-benzoic acid

Systemtic Name: 3-[2-(4-aminophenyl)sulfanylbutanoylamino]-4-chloranyl-benzoic acid Openeye Name: 3-[2-(4-aminophenyl)sulfanylbutanoylamino]-4-chloro-benzoic acid CAS Name: 3-[[2-[(4-aminophenyl)thio]-1-oxobutyl]amino]-4-chlorobenzoic acid IUPAC Name: 3-[2-(4-aminophenyl)sulfanylbutanoylamino]-4-chlorobenzoic acid Traditional Name: 3-[2-[(4-aminophenyl)thio]butanoylamino]-4-chloro-benzoic acid Formula: C17H17ClN2O3S MolecularWeight: 364.84648

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=C(C=CC(=C1)C(=O)O)Cl)SC2=CC=C(C=C2)N

Isomeric SMILES

CCC(C(=O)NC1=C(C=CC(=C1)C(=O)O)Cl)SC2=CC=C(C=C2)N

InChI

InChI=1S/C17H17ClN2O3S/c1-2-15(24-12-6-4-11(19)5-7-12)16(21)20-14-9-10(17(22)23)3-8-13(14)18/h3-9,15H,2,19H2,1H3,(H,20,21)(H,22,23)