4-chloranyl-3-(2-phenylsulfanylbutanoylamino)benzoic acid

Systemtic Name: 4-chloranyl-3-(2-phenylsulfanylbutanoylamino)benzoic acid Openeye Name: 4-chloro-3-(2-phenylsulfanylbutanoylamino)benzoic acid CAS Name: 4-chloro-3-[[1-oxo-2-(phenylthio)butyl]amino]benzoic acid IUPAC Name: 4-chloro-3-(2-phenylsulfanylbutanoylamino)benzoic acid Traditional Name: 4-chloro-3-[2-(phenylthio)butanoylamino]benzoic acid Formula: C17H16ClNO3S MolecularWeight: 349.83184

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16ClNO3S/c1-2-15(23-12-6-4-3-5-7-12)16(20)19-14-10-11(17(21)22)8-9-13(14)18/h3-10,15H,2H2,1H3,(H,19,20)(H,21,22)