3-[[(phenylmethyl)-(phenylsulfonyl)amino]methyl]benzoic acid

Systemtic Name: 3-[[(phenylmethyl)-(phenylsulfonyl)amino]methyl]benzoic acid Openeye Name: 3-[[benzenesulfonyl(benzyl)amino]methyl]benzoic acid CAS Name: 3-[[benzenesulfonyl-(phenylmethyl)amino]methyl]benzoic acid IUPAC Name: 3-[[benzenesulfonyl(benzyl)amino]methyl]benzoic acid Traditional Name: 3-[[benzyl(besyl)amino]methyl]benzoic acid Formula: C21H19NO4S MolecularWeight: 381.44486

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN(CC2=CC=CC(=C2)C(=O)O)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)CN(CC2=CC=CC(=C2)C(=O)O)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H19NO4S/c23-21(24)19-11-7-10-18(14-19)16-22(15-17-8-3-1-4-9-17)27(25,26)20-12-5-2-6-13-20/h1-14H,15-16H2,(H,23,24)