1-[4-[5-(4-chlorophenyl)-1-(4-methylphenyl)sulfonyl-4-pyrimidin-4-yl-pyrazol-3-yl]piperidin-1-yl]ethanone

Systemtic Name: 1-[4-[5-(4-chlorophenyl)-1-(4-methylphenyl)sulfonyl-4-pyrimidin-4-yl-pyrazol-3-yl]piperidin-1-yl]ethanone Openeye Name: 1-[4-[5-(4-chlorophenyl)-1-(p-tolylsulfonyl)-4-pyrimidin-4-yl-pyrazol-3-yl]-1-piperidyl]ethanone CAS Name: 1-[4-[5-(4-chlorophenyl)-1-(4-methylphenyl)sulfonyl-4-(4-pyrimidinyl)-3-pyrazolyl]-1-piperidinyl]ethanone IUPAC Name: 1-[4-[5-(4-chlorophenyl)-1-(4-methylphenyl)sulfonyl-4-pyrimidin-4-ylpyrazol-3-yl]piperidin-1-yl]ethanone Traditional Name: 1-[4-[5-(4-chlorophenyl)-4-(4-pyrimidyl)-1-tosyl-pyrazol-3-yl]piperidino]ethanone Formula: C27H26ClN5O3S MolecularWeight: 536.04504

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

InChI

InChI=1S/C27H26ClN5O3S/c1-18-3-9-23(10-4-18)37(35,36)33-27(21-5-7-22(28)8-6-21)25(24-11-14-29-17-30-24)26(31-33)20-12-15-32(16-13-20)19(2)34/h3-11,14,17,20H,12-13,15-16H2,1-2H3