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

Systemtic Name: dipropan-2-yl 2,6-dimethyl-4-[1-phenyl-3-(4-piperidin-1-ylsulfonylphenyl)pyrazol-4-yl]-1,4-dihydropyridine-3,5-dicarboxylate Openeye Name: diisopropyl 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 dipropan-2-yl ester IUPAC Name: dipropan-2-yl 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 diisopropyl ester Formula: C35H42N4O6S MolecularWeight: 646.79618

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)C)C(=O)OC(C)C)C2=CN(N=C2C3=CC=C(C=C3)S(=O)(=O)N4CCCCC4)C5=CC=CC=C5)C(=O)OC(C)C

Isomeric SMILES

CC1=C(C(C(=C(N1)C)C(=O)OC(C)C)C2=CN(N=C2C3=CC=C(C=C3)S(=O)(=O)N4CCCCC4)C5=CC=CC=C5)C(=O)OC(C)C

InChI

InChI=1S/C35H42N4O6S/c1-22(2)44-34(40)30-24(5)36-25(6)31(35(41)45-23(3)4)32(30)29-21-39(27-13-9-7-10-14-27)37-33(29)26-15-17-28(18-16-26)46(42,43)38-19-11-8-12-20-38/h7,9-10,13-18,21-23,32,36H,8,11-12,19-20H2,1-6H3