methyl 2-butyl-1-[[3-[(4-methylphenyl)sulfonylcarbamoyl]-4-phenyl-phenyl]methyl]-6-oxidanylidene-pyridine-4-carboxylate

Systemtic Name: methyl 2-butyl-1-[[3-[(4-methylphenyl)sulfonylcarbamoyl]-4-phenyl-phenyl]methyl]-6-oxidanylidene-pyridine-4-carboxylate Openeye Name: methyl 2-butyl-6-oxo-1-[[4-phenyl-3-(p-tolylsulfonylcarbamoyl)phenyl]methyl]pyridine-4-carboxylate CAS Name: 2-butyl-1-[[3-[[(4-methylphenyl)sulfonylamino]-oxomethyl]-4-phenylphenyl]methyl]-6-oxo-4-pyridinecarboxylic acid methyl ester IUPAC Name: methyl 2-butyl-1-[[3-[(4-methylphenyl)sulfonylcarbamoyl]-4-phenylphenyl]methyl]-6-oxopyridine-4-carboxylate Traditional Name: 2-butyl-6-keto-1-[4-phenyl-3-(tosylcarbamoyl)benzyl]isonicotinic acid methyl ester Formula: C32H32N2O6S MolecularWeight: 572.67128

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC(=CC(=O)N1CC2=CC(=C(C=C2)C3=CC=CC=C3)C(=O)NS(=O)(=O)C4=CC=C(C=C4)C)C(=O)OC

Isomeric SMILES

CCCCC1=CC(=CC(=O)N1CC2=CC(=C(C=C2)C3=CC=CC=C3)C(=O)NS(=O)(=O)C4=CC=C(C=C4)C)C(=O)OC

InChI

InChI=1S/C32H32N2O6S/c1-4-5-11-26-19-25(32(37)40-3)20-30(35)34(26)21-23-14-17-28(24-9-7-6-8-10-24)29(18-23)31(36)33-41(38,39)27-15-12-22(2)13-16-27/h6-10,12-20H,4-5,11,21H2,1-3H3,(H,33,36)