3-(3-methoxy-4-nitro-pyrazol-1-yl)-1-(4-thiophen-2-ylsulfonylpiperazin-1-yl)propan-1-one

Systemtic Name: 3-(3-methoxy-4-nitro-pyrazol-1-yl)-1-(4-thiophen-2-ylsulfonylpiperazin-1-yl)propan-1-one Openeye Name: 3-(3-methoxy-4-nitro-pyrazol-1-yl)-1-[4-(2-thienylsulfonyl)piperazin-1-yl]propan-1-one CAS Name: 3-(3-methoxy-4-nitro-1-pyrazolyl)-1-(4-thiophen-2-ylsulfonyl-1-piperazinyl)-1-propanone IUPAC Name: 3-(3-methoxy-4-nitropyrazol-1-yl)-1-(4-thiophen-2-ylsulfonylpiperazin-1-yl)propan-1-one Traditional Name: 3-(3-methoxy-4-nitro-pyrazol-1-yl)-1-[4-(2-thienylsulfonyl)piperazino]propan-1-one Formula: C15H19N5O6S2 MolecularWeight: 429.47126

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=NN(C=C1[N+](=O)[O-])CCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CS3

Isomeric SMILES

COC1=NN(C=C1[N+](=O)[O-])CCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CS3

InChI

InChI=1S/C15H19N5O6S2/c1-26-15-12(20(22)23)11-18(16-15)5-4-13(21)17-6-8-19(9-7-17)28(24,25)14-3-2-10-27-14/h2-3,10-11H,4-9H2,1H3