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

Systemtic Name: methyl 4-[[[(1R)-2-azanyl-2-oxidanylidene-1-phenyl-ethyl]-(4-cyanophenyl)sulfonyl-amino]methyl]benzoate Openeye Name: methyl 4-[[[(1R)-2-amino-2-oxo-1-phenyl-ethyl]-(4-cyanophenyl)sulfonyl-amino]methyl]benzoate CAS Name: 4-[[[(1R)-2-amino-2-oxo-1-phenylethyl]-(4-cyanophenyl)sulfonylamino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[[(1R)-2-amino-2-oxo-1-phenylethyl]-(4-cyanophenyl)sulfonylamino]methyl]benzoate Traditional Name: 4-[[[(1R)-2-amino-2-keto-1-phenyl-ethyl]-(4-cyanophenyl)sulfonyl-amino]methyl]benzoic acid methyl ester Formula: C24H21N3O5S MolecularWeight: 463.50564

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CN(C(C2=CC=CC=C2)C(=O)N)S(=O)(=O)C3=CC=C(C=C3)C#N

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CN([C@H](C2=CC=CC=C2)C(=O)N)S(=O)(=O)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C24H21N3O5S/c1-32-24(29)20-11-7-18(8-12-20)16-27(22(23(26)28)19-5-3-2-4-6-19)33(30,31)21-13-9-17(15-25)10-14-21/h2-14,22H,16H2,1H3,(H2,26,28)/t22-/m1/s1