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

Systemtic Name: 3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-1-[4-(4-methylpiperazin-1-yl)sulfonylpiperazin-1-yl]propan-1-one Openeye Name: 3-(1-isobutyl-3,5-dimethyl-pyrazol-4-yl)-1-[4-(4-methylpiperazin-1-yl)sulfonylpiperazin-1-yl]propan-1-one CAS Name: 3-[3,5-dimethyl-1-(2-methylpropyl)-4-pyrazolyl]-1-[4-[(4-methyl-1-piperazinyl)sulfonyl]-1-piperazinyl]-1-propanone IUPAC Name: 3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-1-[4-(4-methylpiperazin-1-yl)sulfonylpiperazin-1-yl]propan-1-one Traditional Name: 3-(1-isobutyl-3,5-dimethyl-pyrazol-4-yl)-1-[4-(4-methylpiperazino)sulfonylpiperazino]propan-1-one Formula: C21H38N6O3S MolecularWeight: 454.62982

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC(C)C)C)CCC(=O)N2CCN(CC2)S(=O)(=O)N3CCN(CC3)C

Isomeric SMILES

CC1=C(C(=NN1CC(C)C)C)CCC(=O)N2CCN(CC2)S(=O)(=O)N3CCN(CC3)C

InChI

InChI=1S/C21H38N6O3S/c1-17(2)16-27-19(4)20(18(3)22-27)6-7-21(28)24-10-14-26(15-11-24)31(29,30)25-12-8-23(5)9-13-25/h17H,6-16H2,1-5H3