2-[[4-[[oxidanyl(2-phenylethanoyl)amino]methyl]phenyl]sulfanylmethyl]benzoic acid

Systemtic Name: 2-[[4-[[oxidanyl(2-phenylethanoyl)amino]methyl]phenyl]sulfanylmethyl]benzoic acid Openeye Name: 2-[[4-[[hydroxy-(2-phenylacetyl)amino]methyl]phenyl]sulfanylmethyl]benzoic acid CAS Name: 2-[[[4-[[hydroxy-(1-oxo-2-phenylethyl)amino]methyl]phenyl]thio]methyl]benzoic acid IUPAC Name: 2-[[4-[[hydroxy-(2-phenylacetyl)amino]methyl]phenyl]sulfanylmethyl]benzoic acid Traditional Name: 2-[[[4-[[hydroxy-(2-phenylacetyl)amino]methyl]phenyl]thio]methyl]benzoic acid Formula: C23H21NO4S MolecularWeight: 407.48214

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(=O)N(CC2=CC=C(C=C2)SCC3=CC=CC=C3C(=O)O)O

Isomeric SMILES

C1=CC=C(C=C1)CC(=O)N(CC2=CC=C(C=C2)SCC3=CC=CC=C3C(=O)O)O

InChI

InChI=1S/C23H21NO4S/c25-22(14-17-6-2-1-3-7-17)24(28)15-18-10-12-20(13-11-18)29-16-19-8-4-5-9-21(19)23(26)27/h1-13,28H,14-16H2,(H,26,27)