5-[2-(4-aminophenyl)sulfanylbutanoylamino]-2-chloranyl-benzoic acid

Systemtic Name: 5-[2-(4-aminophenyl)sulfanylbutanoylamino]-2-chloranyl-benzoic acid Openeye Name: 5-[2-(4-aminophenyl)sulfanylbutanoylamino]-2-chloro-benzoic acid CAS Name: 5-[[2-[(4-aminophenyl)thio]-1-oxobutyl]amino]-2-chlorobenzoic acid IUPAC Name: 5-[2-(4-aminophenyl)sulfanylbutanoylamino]-2-chlorobenzoic acid Traditional Name: 5-[2-[(4-aminophenyl)thio]butanoylamino]-2-chloro-benzoic acid Formula: C17H17ClN2O3S MolecularWeight: 364.84648

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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