tert-butyl 4-[2-(4-methylphenyl)sulfonyl-4-(2-methylsulfonylpyrimidin-4-yl)-5-phenyl-pyrazol-3-yl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[2-(4-methylphenyl)sulfonyl-4-(2-methylsulfonylpyrimidin-4-yl)-5-phenyl-pyrazol-3-yl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[4-(2-methylsulfonylpyrimidin-4-yl)-5-phenyl-2-(p-tolylsulfonyl)pyrazol-3-yl]piperidine-1-carboxylate CAS Name: 4-[2-(4-methylphenyl)sulfonyl-4-(2-methylsulfonyl-4-pyrimidinyl)-5-phenyl-3-pyrazolyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[2-(4-methylphenyl)sulfonyl-4-(2-methylsulfonylpyrimidin-4-yl)-5-phenylpyrazol-3-yl]piperidine-1-carboxylate Traditional Name: 4-[4-(2-mesylpyrimidin-4-yl)-5-phenyl-2-tosyl-pyrazol-3-yl]piperidine-1-carboxylic acid tert-butyl ester Formula: C31H35N5O6S2 MolecularWeight: 637.7695

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2C(=C(C(=N2)C3=CC=CC=C3)C4=NC(=NC=C4)S(=O)(=O)C)C5CCN(CC5)C(=O)OC(C)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2C(=C(C(=N2)C3=CC=CC=C3)C4=NC(=NC=C4)S(=O)(=O)C)C5CCN(CC5)C(=O)OC(C)(C)C

InChI

InChI=1S/C31H35N5O6S2/c1-21-11-13-24(14-12-21)44(40,41)36-28(23-16-19-35(20-17-23)30(37)42-31(2,3)4)26(27(34-36)22-9-7-6-8-10-22)25-15-18-32-29(33-25)43(5,38)39/h6-15,18,23H,16-17,19-20H2,1-5H3