2-methyl-3-(4-nitropyrazol-1-yl)-1-(4-thiophen-2-ylsulfonylpiperazin-1-yl)propan-1-one

Systemtic Name: 2-methyl-3-(4-nitropyrazol-1-yl)-1-(4-thiophen-2-ylsulfonylpiperazin-1-yl)propan-1-one Openeye Name: 2-methyl-3-(4-nitropyrazol-1-yl)-1-[4-(2-thienylsulfonyl)piperazin-1-yl]propan-1-one CAS Name: 2-methyl-3-(4-nitro-1-pyrazolyl)-1-(4-thiophen-2-ylsulfonyl-1-piperazinyl)-1-propanone IUPAC Name: 2-methyl-3-(4-nitropyrazol-1-yl)-1-(4-thiophen-2-ylsulfonylpiperazin-1-yl)propan-1-one Traditional Name: 2-methyl-3-(4-nitropyrazol-1-yl)-1-[4-(2-thienylsulfonyl)piperazino]propan-1-one Formula: C15H19N5O5S2 MolecularWeight: 413.47186

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CN1C=C(C=N1)[N+](=O)[O-])C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CS3

Isomeric SMILES

CC(CN1C=C(C=N1)[N+](=O)[O-])C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CS3

InChI

InChI=1S/C15H19N5O5S2/c1-12(10-18-11-13(9-16-18)20(22)23)15(21)17-4-6-19(7-5-17)27(24,25)14-3-2-8-26-14/h2-3,8-9,11-12H,4-7,10H2,1H3