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

Systemtic Name: 3-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-1-[4-(1-methylpyrazol-4-yl)sulfonylpiperazin-1-yl]propan-1-one Openeye Name: 3-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-1-[4-(1-methylpyrazol-4-yl)sulfonylpiperazin-1-yl]propan-1-one CAS Name: 3-(3,5-dimethyl-4-nitro-1-pyrazolyl)-1-[4-[(1-methyl-4-pyrazolyl)sulfonyl]-1-piperazinyl]-1-propanone IUPAC Name: 3-(3,5-dimethyl-4-nitropyrazol-1-yl)-1-[4-(1-methylpyrazol-4-yl)sulfonylpiperazin-1-yl]propan-1-one Traditional Name: 3-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-1-[4-(1-methylpyrazol-4-yl)sulfonylpiperazino]propan-1-one Formula: C16H23N7O5S MolecularWeight: 425.46272

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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)C)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C16H23N7O5S/c1-12-16(23(25)26)13(2)22(18-12)5-4-15(24)20-6-8-21(9-7-20)29(27,28)14-10-17-19(3)11-14/h10-11H,4-9H2,1-3H3