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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=N1)C)S(=O)(=O)N2CCN(CC2)C(=O)C(C)CN3C(=CC(=N3)[N+](=O)[O-])C

Isomeric SMILES

CCN1C=C(C(=N1)C)S(=O)(=O)N2CCN(CC2)C(=O)C(C)CN3C(=CC(=N3)[N+](=O)[O-])C

InChI

InChI=1S/C18H27N7O5S/c1-5-22-12-16(15(4)19-22)31(29,30)23-8-6-21(7-9-23)18(26)13(2)11-24-14(3)10-17(20-24)25(27)28/h10,12-13H,5-9,11H2,1-4H3