(phenylmethyl) 2-[(4-methoxyphenyl)sulfonylamino]-4-[4-(2-methylsulfonylphenyl)phenyl]-3-oxidanylidene-piperazine-1-carboxylate

Systemtic Name: (phenylmethyl) 2-[(4-methoxyphenyl)sulfonylamino]-4-[4-(2-methylsulfonylphenyl)phenyl]-3-oxidanylidene-piperazine-1-carboxylate Openeye Name: benzyl 2-[(4-methoxyphenyl)sulfonylamino]-4-[4-(2-methylsulfonylphenyl)phenyl]-3-oxo-piperazine-1-carboxylate CAS Name: 2-[(4-methoxyphenyl)sulfonylamino]-4-[4-(2-methylsulfonylphenyl)phenyl]-3-oxo-1-piperazinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[(4-methoxyphenyl)sulfonylamino]-4-[4-(2-methylsulfonylphenyl)phenyl]-3-oxopiperazine-1-carboxylate Traditional Name: 3-keto-4-[4-(2-mesylphenyl)phenyl]-2-[(4-methoxyphenyl)sulfonylamino]piperazine-1-carboxylic acid benzyl ester Formula: C32H31N3O8S2 MolecularWeight: 649.73384

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)NC2C(=O)N(CCN2C(=O)OCC3=CC=CC=C3)C4=CC=C(C=C4)C5=CC=CC=C5S(=O)(=O)C

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)NC2C(=O)N(CCN2C(=O)OCC3=CC=CC=C3)C4=CC=C(C=C4)C5=CC=CC=C5S(=O)(=O)C

InChI

InChI=1S/C32H31N3O8S2/c1-42-26-16-18-27(19-17-26)45(40,41)33-30-31(36)34(20-21-35(30)32(37)43-22-23-8-4-3-5-9-23)25-14-12-24(13-15-25)28-10-6-7-11-29(28)44(2,38)39/h3-19,30,33H,20-22H2,1-2H3