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

Systemtic Name: tert-butyl 4-[5-(4-chlorophenyl)-1-(4-methylphenyl)sulfonyl-4-pyrimidin-4-yl-pyrazol-3-yl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[5-(4-chlorophenyl)-1-(p-tolylsulfonyl)-4-pyrimidin-4-yl-pyrazol-3-yl]piperidine-1-carboxylate CAS Name: 4-[5-(4-chlorophenyl)-1-(4-methylphenyl)sulfonyl-4-(4-pyrimidinyl)-3-pyrazolyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[5-(4-chlorophenyl)-1-(4-methylphenyl)sulfonyl-4-pyrimidin-4-ylpyrazol-3-yl]piperidine-1-carboxylate Traditional Name: 4-[5-(4-chlorophenyl)-4-(4-pyrimidyl)-1-tosyl-pyrazol-3-yl]piperidine-1-carboxylic acid tert-butyl ester Formula: C30H32ClN5O4S MolecularWeight: 594.12418

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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=NC=NC=C4)C5=CC=C(C=C5)Cl

Isomeric SMILES

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

InChI

InChI=1S/C30H32ClN5O4S/c1-20-5-11-24(12-6-20)41(38,39)36-28(22-7-9-23(31)10-8-22)26(25-13-16-32-19-33-25)27(34-36)21-14-17-35(18-15-21)29(37)40-30(2,3)4/h5-13,16,19,21H,14-15,17-18H2,1-4H3