2-(4-nitropyrazol-1-yl)-1-(4-thiophen-2-ylsulfonylpiperazin-1-yl)butan-1-one

Systemtic Name: 2-(4-nitropyrazol-1-yl)-1-(4-thiophen-2-ylsulfonylpiperazin-1-yl)butan-1-one Openeye Name: 2-(4-nitropyrazol-1-yl)-1-[4-(2-thienylsulfonyl)piperazin-1-yl]butan-1-one CAS Name: 2-(4-nitro-1-pyrazolyl)-1-(4-thiophen-2-ylsulfonyl-1-piperazinyl)-1-butanone IUPAC Name: 2-(4-nitropyrazol-1-yl)-1-(4-thiophen-2-ylsulfonylpiperazin-1-yl)butan-1-one Traditional Name: 2-(4-nitropyrazol-1-yl)-1-[4-(2-thienylsulfonyl)piperazino]butan-1-one Formula: C15H19N5O5S2 MolecularWeight: 413.47186

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)N1CCN(CC1)S(=O)(=O)C2=CC=CS2)N3C=C(C=N3)[N+](=O)[O-]

Isomeric SMILES

CCC(C(=O)N1CCN(CC1)S(=O)(=O)C2=CC=CS2)N3C=C(C=N3)[N+](=O)[O-]

InChI

InChI=1S/C15H19N5O5S2/c1-2-13(19-11-12(10-16-19)20(22)23)15(21)17-5-7-18(8-6-17)27(24,25)14-4-3-9-26-14/h3-4,9-11,13H,2,5-8H2,1H3