4-(2-nitrophenyl)sulfonyl-1-[[2-(3,4,5-trimethoxyphenyl)pyridin-4-yl]methyl]piperazin-2-one

Systemtic Name: 4-(2-nitrophenyl)sulfonyl-1-[[2-(3,4,5-trimethoxyphenyl)pyridin-4-yl]methyl]piperazin-2-one Openeye Name: 4-(2-nitrophenyl)sulfonyl-1-[[2-(3,4,5-trimethoxyphenyl)-4-pyridyl]methyl]piperazin-2-one CAS Name: 4-(2-nitrophenyl)sulfonyl-1-[[2-(3,4,5-trimethoxyphenyl)-4-pyridinyl]methyl]-2-piperazinone IUPAC Name: 4-(2-nitrophenyl)sulfonyl-1-[[2-(3,4,5-trimethoxyphenyl)pyridin-4-yl]methyl]piperazin-2-one Traditional Name: 4-(2-nitrophenyl)sulfonyl-1-[[2-(3,4,5-trimethoxyphenyl)-4-pyridyl]methyl]piperazin-2-one Formula: C25H26N4O8S MolecularWeight: 542.56094

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C2=NC=CC(=C2)CN3CCN(CC3=O)S(=O)(=O)C4=CC=CC=C4[N+](=O)[O-]

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C2=NC=CC(=C2)CN3CCN(CC3=O)S(=O)(=O)C4=CC=CC=C4[N+](=O)[O-]

InChI

InChI=1S/C25H26N4O8S/c1-35-21-13-18(14-22(36-2)25(21)37-3)19-12-17(8-9-26-19)15-27-10-11-28(16-24(27)30)38(33,34)23-7-5-4-6-20(23)29(31)32/h4-9,12-14H,10-11,15-16H2,1-3H3