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

Systemtic Name: 1-[4-(1-ethyl-3-methyl-pyrazol-4-yl)sulfonylpiperazin-1-yl]-2-(4-nitropyrazol-1-yl)butan-1-one Openeye Name: 1-[4-(1-ethyl-3-methyl-pyrazol-4-yl)sulfonylpiperazin-1-yl]-2-(4-nitropyrazol-1-yl)butan-1-one CAS Name: 1-[4-[(1-ethyl-3-methyl-4-pyrazolyl)sulfonyl]-1-piperazinyl]-2-(4-nitro-1-pyrazolyl)-1-butanone IUPAC Name: 1-[4-(1-ethyl-3-methylpyrazol-4-yl)sulfonylpiperazin-1-yl]-2-(4-nitropyrazol-1-yl)butan-1-one Traditional Name: 1-[4-(1-ethyl-3-methyl-pyrazol-4-yl)sulfonylpiperazino]-2-(4-nitropyrazol-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=CN(N=C2C)CC)N3C=C(C=N3)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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