[(1S)-2-azanyl-2-oxidanylidene-1-phenyl-ethyl] 4-[methyl-(4-methylphenyl)sulfonyl-amino]benzoate

Systemtic Name: [(1S)-2-azanyl-2-oxidanylidene-1-phenyl-ethyl] 4-[methyl-(4-methylphenyl)sulfonyl-amino]benzoate Openeye Name: [(1S)-2-amino-2-oxo-1-phenyl-ethyl] 4-[methyl(p-tolylsulfonyl)amino]benzoate CAS Name: 4-[methyl-(4-methylphenyl)sulfonylamino]benzoic acid [(1S)-2-amino-2-oxo-1-phenylethyl] ester IUPAC Name: [(1S)-2-amino-2-oxo-1-phenylethyl] 4-[methyl-(4-methylphenyl)sulfonylamino]benzoate Traditional Name: 4-[methyl(tosyl)amino]benzoic acid [(1S)-2-amino-2-keto-1-phenyl-ethyl] ester Formula: C23H22N2O5S MolecularWeight: 438.49618

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(C)C2=CC=C(C=C2)C(=O)OC(C3=CC=CC=C3)C(=O)N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(C)C2=CC=C(C=C2)C(=O)O[C@@H](C3=CC=CC=C3)C(=O)N

InChI

InChI=1S/C23H22N2O5S/c1-16-8-14-20(15-9-16)31(28,29)25(2)19-12-10-18(11-13-19)23(27)30-21(22(24)26)17-6-4-3-5-7-17/h3-15,21H,1-2H3,(H2,24,26)/t21-/m0/s1