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

Systemtic Name: tert-butyl 4-[1-(4-methylphenyl)sulfonyl-4-(2-methylsulfanylpyrimidin-4-yl)-5-phenyl-pyrazol-3-yl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[4-(2-methylsulfanylpyrimidin-4-yl)-5-phenyl-1-(p-tolylsulfonyl)pyrazol-3-yl]piperidine-1-carboxylate CAS Name: 4-[1-(4-methylphenyl)sulfonyl-4-[2-(methylthio)-4-pyrimidinyl]-5-phenyl-3-pyrazolyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[1-(4-methylphenyl)sulfonyl-4-(2-methylsulfanylpyrimidin-4-yl)-5-phenylpyrazol-3-yl]piperidine-1-carboxylate Traditional Name: 4-[4-[2-(methylthio)pyrimidin-4-yl]-5-phenyl-1-tosyl-pyrazol-3-yl]piperidine-1-carboxylic acid tert-butyl ester Formula: C31H35N5O4S2 MolecularWeight: 605.7707

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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)SC)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=NC(=NC=C4)SC)C5=CC=CC=C5

InChI

InChI=1S/C31H35N5O4S2/c1-21-11-13-24(14-12-21)42(38,39)36-28(23-9-7-6-8-10-23)26(25-15-18-32-29(33-25)41-5)27(34-36)22-16-19-35(20-17-22)30(37)40-31(2,3)4/h6-15,18,22H,16-17,19-20H2,1-5H3