2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-1-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]ethanone

Systemtic Name: 2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-1-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]ethanone Openeye Name: 2-(1-isobutyl-3,5-dimethyl-pyrazol-4-yl)-1-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]ethanone CAS Name: 2-[3,5-dimethyl-1-(2-methylpropyl)-4-pyrazolyl]-1-[4-(3-nitrophenyl)sulfonyl-1-piperazinyl]ethanone IUPAC Name: 2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-1-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]ethanone Traditional Name: 2-(1-isobutyl-3,5-dimethyl-pyrazol-4-yl)-1-[4-(3-nitrophenyl)sulfonylpiperazino]ethanone Formula: C21H29N5O5S MolecularWeight: 463.55046

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC(C)C)C)CC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CC(C)C)C)CC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H29N5O5S/c1-15(2)14-25-17(4)20(16(3)22-25)13-21(27)23-8-10-24(11-9-23)32(30,31)19-7-5-6-18(12-19)26(28)29/h5-7,12,15H,8-11,13-14H2,1-4H3