1-[3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-2-[4-(phenylsulfonyl)piperazin-1-yl]ethanone

Systemtic Name: 1-[3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-2-[4-(phenylsulfonyl)piperazin-1-yl]ethanone Openeye Name: 2-[4-(benzenesulfonyl)piperazin-1-yl]-1-[3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]ethanone CAS Name: 2-[4-(benzenesulfonyl)-1-piperazinyl]-1-[3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]ethanone IUPAC Name: 2-[4-(benzenesulfonyl)piperazin-1-yl]-1-[3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]ethanone Traditional Name: 2-(4-besylpiperazino)-1-[5-(4-methoxyphenyl)-3-phenyl-2-pyrazolin-1-yl]ethanone Formula: C28H30N4O4S MolecularWeight: 518.6272

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2CC(=NN2C(=O)CN3CCN(CC3)S(=O)(=O)C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

COC1=CC=C(C=C1)C2CC(=NN2C(=O)CN3CCN(CC3)S(=O)(=O)C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C28H30N4O4S/c1-36-24-14-12-23(13-15-24)27-20-26(22-8-4-2-5-9-22)29-32(27)28(33)21-30-16-18-31(19-17-30)37(34,35)25-10-6-3-7-11-25/h2-15,27H,16-21H2,1H3