3-(5-methyl-4-nitro-pyrazol-1-yl)-1-[4-(1-methylpyrazol-4-yl)sulfonylpiperazin-1-yl]propan-1-one

Systemtic Name: 3-(5-methyl-4-nitro-pyrazol-1-yl)-1-[4-(1-methylpyrazol-4-yl)sulfonylpiperazin-1-yl]propan-1-one Openeye Name: 3-(5-methyl-4-nitro-pyrazol-1-yl)-1-[4-(1-methylpyrazol-4-yl)sulfonylpiperazin-1-yl]propan-1-one CAS Name: 3-(5-methyl-4-nitro-1-pyrazolyl)-1-[4-[(1-methyl-4-pyrazolyl)sulfonyl]-1-piperazinyl]-1-propanone IUPAC Name: 3-(5-methyl-4-nitropyrazol-1-yl)-1-[4-(1-methylpyrazol-4-yl)sulfonylpiperazin-1-yl]propan-1-one Traditional Name: 3-(5-methyl-4-nitro-pyrazol-1-yl)-1-[4-(1-methylpyrazol-4-yl)sulfonylpiperazino]propan-1-one Formula: C15H21N7O5S MolecularWeight: 411.43614

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NN1CCC(=O)N2CCN(CC2)S(=O)(=O)C3=CN(N=C3)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=NN1CCC(=O)N2CCN(CC2)S(=O)(=O)C3=CN(N=C3)C)[N+](=O)[O-]

InChI

InChI=1S/C15H21N7O5S/c1-12-14(22(24)25)10-17-21(12)4-3-15(23)19-5-7-20(8-6-19)28(26,27)13-9-16-18(2)11-13/h9-11H,3-8H2,1-2H3