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

Systemtic Name: (phenylmethyl) 3-[(4-methoxyphenyl)sulfonylamino]-1-[4-(2-methylsulfonylphenyl)phenyl]-2-oxidanylidene-piperidine-4-carboxylate Openeye Name: benzyl 3-[(4-methoxyphenyl)sulfonylamino]-1-[4-(2-methylsulfonylphenyl)phenyl]-2-oxo-piperidine-4-carboxylate CAS Name: 3-[(4-methoxyphenyl)sulfonylamino]-1-[4-(2-methylsulfonylphenyl)phenyl]-2-oxo-4-piperidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 3-[(4-methoxyphenyl)sulfonylamino]-1-[4-(2-methylsulfonylphenyl)phenyl]-2-oxopiperidine-4-carboxylate Traditional Name: 2-keto-1-[4-(2-mesylphenyl)phenyl]-3-[(4-methoxyphenyl)sulfonylamino]isonipecotic acid benzyl ester Formula: C33H32N2O8S2 MolecularWeight: 648.74578

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)NC2C(CCN(C2=O)C3=CC=C(C=C3)C4=CC=CC=C4S(=O)(=O)C)C(=O)OCC5=CC=CC=C5

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)NC2C(CCN(C2=O)C3=CC=C(C=C3)C4=CC=CC=C4S(=O)(=O)C)C(=O)OCC5=CC=CC=C5

InChI

InChI=1S/C33H32N2O8S2/c1-42-26-16-18-27(19-17-26)45(40,41)34-31-29(33(37)43-22-23-8-4-3-5-9-23)20-21-35(32(31)36)25-14-12-24(13-15-25)28-10-6-7-11-30(28)44(2,38)39/h3-19,29,31,34H,20-22H2,1-2H3