1-[4-(1,5-dimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]-2-(4-nitropyrazol-1-yl)butan-1-one

Systemtic Name: 1-[4-(1,5-dimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]-2-(4-nitropyrazol-1-yl)butan-1-one Openeye Name: 1-[4-(1,5-dimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]-2-(4-nitropyrazol-1-yl)butan-1-one CAS Name: 1-[4-[(1,5-dimethyl-4-pyrazolyl)sulfonyl]-1-piperazinyl]-2-(4-nitro-1-pyrazolyl)-1-butanone IUPAC Name: 1-[4-(1,5-dimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]-2-(4-nitropyrazol-1-yl)butan-1-one Traditional Name: 1-[4-(1,5-dimethylpyrazol-4-yl)sulfonylpiperazino]-2-(4-nitropyrazol-1-yl)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=C(N(N=C2)C)C)N3C=C(C=N3)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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