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

Systemtic Name: 1-[4-(1,5-dimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]-2-(5-methyl-3-nitro-pyrazol-1-yl)butan-1-one Openeye Name: 1-[4-(1,5-dimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]-2-(5-methyl-3-nitro-pyrazol-1-yl)butan-1-one CAS Name: 1-[4-[(1,5-dimethyl-4-pyrazolyl)sulfonyl]-1-piperazinyl]-2-(5-methyl-3-nitro-1-pyrazolyl)-1-butanone IUPAC Name: 1-[4-(1,5-dimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]-2-(5-methyl-3-nitropyrazol-1-yl)butan-1-one Traditional Name: 1-[4-(1,5-dimethylpyrazol-4-yl)sulfonylpiperazino]-2-(5-methyl-3-nitro-pyrazol-1-yl)butan-1-one Formula: C17H25N7O5S MolecularWeight: 439.4893

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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(=CC(=N3)[N+](=O)[O-])C

Isomeric SMILES

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

InChI

InChI=1S/C17H25N7O5S/c1-5-14(23-12(2)10-16(19-23)24(26)27)17(25)21-6-8-22(9-7-21)30(28,29)15-11-18-20(4)13(15)3/h10-11,14H,5-9H2,1-4H3