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

Systemtic Name: 1-[4-(1-ethyl-3-methyl-pyrazol-4-yl)sulfonylpiperazin-1-yl]-2-(5-methyl-3-nitro-pyrazol-1-yl)butan-1-one Openeye Name: 1-[4-(1-ethyl-3-methyl-pyrazol-4-yl)sulfonylpiperazin-1-yl]-2-(5-methyl-3-nitro-pyrazol-1-yl)butan-1-one CAS Name: 1-[4-[(1-ethyl-3-methyl-4-pyrazolyl)sulfonyl]-1-piperazinyl]-2-(5-methyl-3-nitro-1-pyrazolyl)-1-butanone IUPAC Name: 1-[4-(1-ethyl-3-methylpyrazol-4-yl)sulfonylpiperazin-1-yl]-2-(5-methyl-3-nitropyrazol-1-yl)butan-1-one Traditional Name: 1-[4-(1-ethyl-3-methyl-pyrazol-4-yl)sulfonylpiperazino]-2-(5-methyl-3-nitro-pyrazol-1-yl)butan-1-one Formula: C18H27N7O5S MolecularWeight: 453.51588

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)N1CCN(CC1)S(=O)(=O)C2=CN(N=C2C)CC)N3C(=CC(=N3)[N+](=O)[O-])C

Isomeric SMILES

CCC(C(=O)N1CCN(CC1)S(=O)(=O)C2=CN(N=C2C)CC)N3C(=CC(=N3)[N+](=O)[O-])C

InChI

InChI=1S/C18H27N7O5S/c1-5-15(24-13(3)11-17(20-24)25(27)28)18(26)21-7-9-23(10-8-21)31(29,30)16-12-22(6-2)19-14(16)4/h11-12,15H,5-10H2,1-4H3