4-[[(2-azanyl-2-oxidanylidene-1-phenyl-ethyl)-(phenylsulfonyl)amino]methyl]benzoic acid

Systemtic Name: 4-[[(2-azanyl-2-oxidanylidene-1-phenyl-ethyl)-(phenylsulfonyl)amino]methyl]benzoic acid Openeye Name: 4-[[(2-amino-2-oxo-1-phenyl-ethyl)-(benzenesulfonyl)amino]methyl]benzoic acid CAS Name: 4-[[(2-amino-2-oxo-1-phenylethyl)-(benzenesulfonyl)amino]methyl]benzoic acid IUPAC Name: 4-[[(2-amino-2-oxo-1-phenylethyl)-(benzenesulfonyl)amino]methyl]benzoic acid Traditional Name: 4-[[(2-amino-2-keto-1-phenyl-ethyl)-besyl-amino]methyl]benzoic acid Formula: C22H20N2O5S MolecularWeight: 424.4696

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H20N2O5S/c23-21(25)20(17-7-3-1-4-8-17)24(30(28,29)19-9-5-2-6-10-19)15-16-11-13-18(14-12-16)22(26)27/h1-14,20H,15H2,(H2,23,25)(H,26,27)