4-(2-phenylsulfanylbutanoylamino)benzoic acid

Systemtic Name: 4-(2-phenylsulfanylbutanoylamino)benzoic acid Openeye Name: 4-(2-phenylsulfanylbutanoylamino)benzoic acid CAS Name: 4-[[1-oxo-2-(phenylthio)butyl]amino]benzoic acid IUPAC Name: 4-(2-phenylsulfanylbutanoylamino)benzoic acid Traditional Name: 4-[2-(phenylthio)butanoylamino]benzoic acid Formula: C17H17NO3S MolecularWeight: 315.38678

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17NO3S/c1-2-15(22-14-6-4-3-5-7-14)16(19)18-13-10-8-12(9-11-13)17(20)21/h3-11,15H,2H2,1H3,(H,18,19)(H,20,21)