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

Systemtic Name: 2-[[4-[[oxidanyl(phenylcarbonyl)amino]methyl]phenyl]sulfanylmethyl]benzoic acid Openeye Name: 2-[[4-[[benzoyl(hydroxy)amino]methyl]phenyl]sulfanylmethyl]benzoic acid CAS Name: 2-[[[4-[[benzoyl(hydroxy)amino]methyl]phenyl]thio]methyl]benzoic acid IUPAC Name: 2-[[4-[[benzoyl(hydroxy)amino]methyl]phenyl]sulfanylmethyl]benzoic acid Traditional Name: 2-[[[4-[[benzoyl(hydroxy)amino]methyl]phenyl]thio]methyl]benzoic acid Formula: C22H19NO4S MolecularWeight: 393.45556

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H19NO4S/c24-21(17-6-2-1-3-7-17)23(27)14-16-10-12-19(13-11-16)28-15-18-8-4-5-9-20(18)22(25)26/h1-13,27H,14-15H2,(H,25,26)