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

Systemtic Name: 3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-1-[4-(phenylsulfonyl)piperazin-1-yl]propan-1-one Openeye Name: 1-[4-(benzenesulfonyl)piperazin-1-yl]-3-(1-isobutyl-3,5-dimethyl-pyrazol-4-yl)propan-1-one CAS Name: 1-[4-(benzenesulfonyl)-1-piperazinyl]-3-[3,5-dimethyl-1-(2-methylpropyl)-4-pyrazolyl]-1-propanone IUPAC Name: 1-[4-(benzenesulfonyl)piperazin-1-yl]-3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propan-1-one Traditional Name: 1-(4-besylpiperazino)-3-(1-isobutyl-3,5-dimethyl-pyrazol-4-yl)propan-1-one Formula: C22H32N4O3S MolecularWeight: 432.57948

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC(C)C)C)CCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=NN1CC(C)C)C)CCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C22H32N4O3S/c1-17(2)16-26-19(4)21(18(3)23-26)10-11-22(27)24-12-14-25(15-13-24)30(28,29)20-8-6-5-7-9-20/h5-9,17H,10-16H2,1-4H3