5-(3,4-dimethoxyphenyl)-4,4-dimethyl-2-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]pyrazol-3-one

Systemtic Name: 5-(3,4-dimethoxyphenyl)-4,4-dimethyl-2-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]pyrazol-3-one Openeye Name: 5-(3,4-dimethoxyphenyl)-4,4-dimethyl-2-[1-(p-tolylsulfonyl)-4-piperidyl]pyrazol-3-one CAS Name: 5-(3,4-dimethoxyphenyl)-4,4-dimethyl-2-[1-(4-methylphenyl)sulfonyl-4-piperidinyl]-3-pyrazolone IUPAC Name: 5-(3,4-dimethoxyphenyl)-4,4-dimethyl-2-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]pyrazol-3-one Traditional Name: 5-(3,4-dimethoxyphenyl)-4,4-dimethyl-2-(1-tosyl-4-piperidyl)-2-pyrazolin-3-one Formula: C25H31N3O5S MolecularWeight: 485.59574

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)N3C(=O)C(C(=N3)C4=CC(=C(C=C4)OC)OC)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)N3C(=O)C(C(=N3)C4=CC(=C(C=C4)OC)OC)(C)C

InChI

InChI=1S/C25H31N3O5S/c1-17-6-9-20(10-7-17)34(30,31)27-14-12-19(13-15-27)28-24(29)25(2,3)23(26-28)18-8-11-21(32-4)22(16-18)33-5/h6-11,16,19H,12-15H2,1-5H3