bis(phenylmethyl) 2,6-dimethyl-4-[1-phenyl-3-(4-piperidin-1-ylsulfonylphenyl)pyrazol-4-yl]-1,4-dihydropyridine-3,5-dicarboxylate

Systemtic Name: bis(phenylmethyl) 2,6-dimethyl-4-[1-phenyl-3-(4-piperidin-1-ylsulfonylphenyl)pyrazol-4-yl]-1,4-dihydropyridine-3,5-dicarboxylate Openeye Name: dibenzyl 2,6-dimethyl-4-[1-phenyl-3-[4-(1-piperidylsulfonyl)phenyl]pyrazol-4-yl]-1,4-dihydropyridine-3,5-dicarboxylate CAS Name: 2,6-dimethyl-4-[1-phenyl-3-[4-(1-piperidinylsulfonyl)phenyl]-4-pyrazolyl]-1,4-dihydropyridine-3,5-dicarboxylic acid bis(phenylmethyl) ester IUPAC Name: dibenzyl 2,6-dimethyl-4-[1-phenyl-3-(4-piperidin-1-ylsulfonylphenyl)pyrazol-4-yl]-1,4-dihydropyridine-3,5-dicarboxylate Traditional Name: 2,6-dimethyl-4-[1-phenyl-3-(4-piperidinosulfonylphenyl)pyrazol-4-yl]-1,4-dihydropyridine-3,5-dicarboxylic acid dibenzyl ester Formula: C43H42N4O6S MolecularWeight: 742.88178

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)C)C(=O)OCC2=CC=CC=C2)C3=CN(N=C3C4=CC=C(C=C4)S(=O)(=O)N5CCCCC5)C6=CC=CC=C6)C(=O)OCC7=CC=CC=C7

Isomeric SMILES

CC1=C(C(C(=C(N1)C)C(=O)OCC2=CC=CC=C2)C3=CN(N=C3C4=CC=C(C=C4)S(=O)(=O)N5CCCCC5)C6=CC=CC=C6)C(=O)OCC7=CC=CC=C7

InChI

InChI=1S/C43H42N4O6S/c1-30-38(42(48)52-28-32-15-7-3-8-16-32)40(39(31(2)44-30)43(49)53-29-33-17-9-4-10-18-33)37-27-47(35-19-11-5-12-20-35)45-41(37)34-21-23-36(24-22-34)54(50,51)46-25-13-6-14-26-46/h3-5,7-12,15-24,27,40,44H,6,13-14,25-26,28-29H2,1-2H3