3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]propan-1-one

Systemtic Name: 3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]propan-1-one Openeye Name: 3-(1-isobutyl-3,5-dimethyl-pyrazol-4-yl)-1-[4-(p-tolylsulfonyl)piperazin-1-yl]propan-1-one CAS Name: 3-[3,5-dimethyl-1-(2-methylpropyl)-4-pyrazolyl]-1-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]-1-propanone IUPAC Name: 3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]propan-1-one Traditional Name: 3-(1-isobutyl-3,5-dimethyl-pyrazol-4-yl)-1-(4-tosylpiperazino)propan-1-one Formula: C23H34N4O3S MolecularWeight: 446.60606

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CCC3=C(N(N=C3C)CC(C)C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CCC3=C(N(N=C3C)CC(C)C)C

InChI

InChI=1S/C23H34N4O3S/c1-17(2)16-27-20(5)22(19(4)24-27)10-11-23(28)25-12-14-26(15-13-25)31(29,30)21-8-6-18(3)7-9-21/h6-9,17H,10-16H2,1-5H3