4-[[(1-azanyl-1-oxidanylidene-3-phenyl-propan-2-yl)-(4-chlorophenyl)sulfonyl-amino]methyl]benzoic acid

Systemtic Name: 4-[[(1-azanyl-1-oxidanylidene-3-phenyl-propan-2-yl)-(4-chlorophenyl)sulfonyl-amino]methyl]benzoic acid Openeye Name: 4-[[(2-amino-1-benzyl-2-oxo-ethyl)-(4-chlorophenyl)sulfonyl-amino]methyl]benzoic acid CAS Name: 4-[[(1-amino-1-oxo-3-phenylpropan-2-yl)-(4-chlorophenyl)sulfonylamino]methyl]benzoic acid IUPAC Name: 4-[[(1-amino-1-oxo-3-phenylpropan-2-yl)-(4-chlorophenyl)sulfonylamino]methyl]benzoic acid Traditional Name: 4-[[(2-amino-1-benzyl-2-keto-ethyl)-(4-chlorophenyl)sulfonyl-amino]methyl]benzoic acid Formula: C23H21ClN2O5S MolecularWeight: 472.94124

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H21ClN2O5S/c24-19-10-12-20(13-11-19)32(30,31)26(15-17-6-8-18(9-7-17)23(28)29)21(22(25)27)14-16-4-2-1-3-5-16/h1-13,21H,14-15H2,(H2,25,27)(H,28,29)