2-(5-methyl-3-nitro-pyrazol-1-yl)-1-(4-thiophen-2-ylsulfonylpiperazin-1-yl)butan-1-one

Systemtic Name: 2-(5-methyl-3-nitro-pyrazol-1-yl)-1-(4-thiophen-2-ylsulfonylpiperazin-1-yl)butan-1-one Openeye Name: 2-(5-methyl-3-nitro-pyrazol-1-yl)-1-[4-(2-thienylsulfonyl)piperazin-1-yl]butan-1-one CAS Name: 2-(5-methyl-3-nitro-1-pyrazolyl)-1-(4-thiophen-2-ylsulfonyl-1-piperazinyl)-1-butanone IUPAC Name: 2-(5-methyl-3-nitropyrazol-1-yl)-1-(4-thiophen-2-ylsulfonylpiperazin-1-yl)butan-1-one Traditional Name: 2-(5-methyl-3-nitro-pyrazol-1-yl)-1-[4-(2-thienylsulfonyl)piperazino]butan-1-one Formula: C16H21N5O5S2 MolecularWeight: 427.49844

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21N5O5S2/c1-3-13(20-12(2)11-14(17-20)21(23)24)16(22)18-6-8-19(9-7-18)28(25,26)15-5-4-10-27-15/h4-5,10-11,13H,3,6-9H2,1-2H3