3-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-2-methyl-1-(4-thiophen-2-ylsulfonylpiperazin-1-yl)propan-1-one

Systemtic Name: 3-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-2-methyl-1-(4-thiophen-2-ylsulfonylpiperazin-1-yl)propan-1-one Openeye Name: 3-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-2-methyl-1-[4-(2-thienylsulfonyl)piperazin-1-yl]propan-1-one CAS Name: 3-(3,5-dimethyl-4-nitro-1-pyrazolyl)-2-methyl-1-(4-thiophen-2-ylsulfonyl-1-piperazinyl)-1-propanone IUPAC Name: 3-(3,5-dimethyl-4-nitropyrazol-1-yl)-2-methyl-1-(4-thiophen-2-ylsulfonylpiperazin-1-yl)propan-1-one Traditional Name: 3-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-2-methyl-1-[4-(2-thienylsulfonyl)piperazino]propan-1-one Formula: C17H23N5O5S2 MolecularWeight: 441.52502

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC(C)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CS3)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CC(C)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CS3)C)[N+](=O)[O-]

InChI

InChI=1S/C17H23N5O5S2/c1-12(11-21-14(3)16(22(24)25)13(2)18-21)17(23)19-6-8-20(9-7-19)29(26,27)15-5-4-10-28-15/h4-5,10,12H,6-9,11H2,1-3H3