tert-butyl 4-[1-(4-methylphenyl)sulfonyl-4,5-diphenyl-pyrazol-3-yl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[1-(4-methylphenyl)sulfonyl-4,5-diphenyl-pyrazol-3-yl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[4,5-diphenyl-1-(p-tolylsulfonyl)pyrazol-3-yl]piperidine-1-carboxylate CAS Name: 4-[1-(4-methylphenyl)sulfonyl-4,5-diphenyl-3-pyrazolyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[1-(4-methylphenyl)sulfonyl-4,5-diphenylpyrazol-3-yl]piperidine-1-carboxylate Traditional Name: 4-(4,5-diphenyl-1-tosyl-pyrazol-3-yl)piperidine-1-carboxylic acid tert-butyl ester Formula: C32H35N3O4S MolecularWeight: 557.703

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2C(=C(C(=N2)C3CCN(CC3)C(=O)OC(C)(C)C)C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2C(=C(C(=N2)C3CCN(CC3)C(=O)OC(C)(C)C)C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C32H35N3O4S/c1-23-15-17-27(18-16-23)40(37,38)35-30(26-13-9-6-10-14-26)28(24-11-7-5-8-12-24)29(33-35)25-19-21-34(22-20-25)31(36)39-32(2,3)4/h5-18,25H,19-22H2,1-4H3