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

Systemtic Name: 4-[[(2-azanyl-2-oxidanylidene-1-phenyl-ethyl)-(4-cyanophenyl)sulfonyl-amino]methyl]benzoic acid Openeye Name: 4-[[(2-amino-2-oxo-1-phenyl-ethyl)-(4-cyanophenyl)sulfonyl-amino]methyl]benzoic acid CAS Name: 4-[[(2-amino-2-oxo-1-phenylethyl)-(4-cyanophenyl)sulfonylamino]methyl]benzoic acid IUPAC Name: 4-[[(2-amino-2-oxo-1-phenylethyl)-(4-cyanophenyl)sulfonylamino]methyl]benzoic acid Traditional Name: 4-[[(2-amino-2-keto-1-phenyl-ethyl)-(4-cyanophenyl)sulfonyl-amino]methyl]benzoic acid Formula: C23H19N3O5S MolecularWeight: 449.47906

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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=C(C=C3)C#N

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=C(C=C3)C#N

InChI

InChI=1S/C23H19N3O5S/c24-14-16-8-12-20(13-9-16)32(30,31)26(15-17-6-10-19(11-7-17)23(28)29)21(22(25)27)18-4-2-1-3-5-18/h1-13,21H,15H2,(H2,25,27)(H,28,29)