1-[4-(1-methylpyrazol-4-yl)sulfonylpiperazin-1-yl]-2-(4-nitropyrazol-1-yl)butan-1-one

Systemtic Name: 1-[4-(1-methylpyrazol-4-yl)sulfonylpiperazin-1-yl]-2-(4-nitropyrazol-1-yl)butan-1-one Openeye Name: 1-[4-(1-methylpyrazol-4-yl)sulfonylpiperazin-1-yl]-2-(4-nitropyrazol-1-yl)butan-1-one CAS Name: 1-[4-[(1-methyl-4-pyrazolyl)sulfonyl]-1-piperazinyl]-2-(4-nitro-1-pyrazolyl)-1-butanone IUPAC Name: 1-[4-(1-methylpyrazol-4-yl)sulfonylpiperazin-1-yl]-2-(4-nitropyrazol-1-yl)butan-1-one Traditional Name: 1-[4-(1-methylpyrazol-4-yl)sulfonylpiperazino]-2-(4-nitropyrazol-1-yl)butan-1-one Formula: C15H21N7O5S MolecularWeight: 411.43614

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H21N7O5S/c1-3-14(21-10-12(8-17-21)22(24)25)15(23)19-4-6-20(7-5-19)28(26,27)13-9-16-18(2)11-13/h8-11,14H,3-7H2,1-2H3