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

Systemtic Name: ditert-butyl 2,6-dimethyl-4-[1-phenyl-3-(4-piperidin-1-ylsulfonylphenyl)pyrazol-4-yl]-1,4-dihydropyridine-3,5-dicarboxylate Openeye Name: ditert-butyl 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 ditert-butyl ester IUPAC Name: ditert-butyl 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 ditert-butyl ester Formula: C37H46N4O6S MolecularWeight: 674.84934

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C37H46N4O6S/c1-24-30(34(42)46-36(3,4)5)32(31(25(2)38-24)35(43)47-37(6,7)8)29-23-41(27-15-11-9-12-16-27)39-33(29)26-17-19-28(20-18-26)48(44,45)40-21-13-10-14-22-40/h9,11-12,15-20,23,32,38H,10,13-14,21-22H2,1-8H3