2-(5-methyl-3-nitro-pyrazol-1-yl)-1-[4-(1-methylpyrazol-4-yl)sulfonylpiperazin-1-yl]butan-1-one

Systemtic Name: 2-(5-methyl-3-nitro-pyrazol-1-yl)-1-[4-(1-methylpyrazol-4-yl)sulfonylpiperazin-1-yl]butan-1-one Openeye Name: 2-(5-methyl-3-nitro-pyrazol-1-yl)-1-[4-(1-methylpyrazol-4-yl)sulfonylpiperazin-1-yl]butan-1-one CAS Name: 2-(5-methyl-3-nitro-1-pyrazolyl)-1-[4-[(1-methyl-4-pyrazolyl)sulfonyl]-1-piperazinyl]-1-butanone IUPAC Name: 2-(5-methyl-3-nitropyrazol-1-yl)-1-[4-(1-methylpyrazol-4-yl)sulfonylpiperazin-1-yl]butan-1-one Traditional Name: 2-(5-methyl-3-nitro-pyrazol-1-yl)-1-[4-(1-methylpyrazol-4-yl)sulfonylpiperazino]butan-1-one Formula: C16H23N7O5S MolecularWeight: 425.46272

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)N1CCN(CC1)S(=O)(=O)C2=CN(N=C2)C)N3C(=CC(=N3)[N+](=O)[O-])C

Isomeric SMILES

CCC(C(=O)N1CCN(CC1)S(=O)(=O)C2=CN(N=C2)C)N3C(=CC(=N3)[N+](=O)[O-])C

InChI

InChI=1S/C16H23N7O5S/c1-4-14(22-12(2)9-15(18-22)23(25)26)16(24)20-5-7-21(8-6-20)29(27,28)13-10-17-19(3)11-13/h9-11,14H,4-8H2,1-3H3