3,4,5-triethoxy-N-[3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylpropyl]benzamide

Systemtic Name: 3,4,5-triethoxy-N-[3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylpropyl]benzamide Openeye Name: 3,4,5-triethoxy-N-[3-[4-(2-pyridyl)piperazin-1-yl]sulfonylpropyl]benzamide CAS Name: 3,4,5-triethoxy-N-[3-[[4-(2-pyridinyl)-1-piperazinyl]sulfonyl]propyl]benzamide IUPAC Name: 3,4,5-triethoxy-N-[3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylpropyl]benzamide Traditional Name: 3,4,5-triethoxy-N-[3-[4-(2-pyridyl)piperazino]sulfonylpropyl]benzamide Formula: C25H36N4O6S MolecularWeight: 520.64154

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)NCCCS(=O)(=O)N2CCN(CC2)C3=CC=CC=N3

Isomeric SMILES

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)NCCCS(=O)(=O)N2CCN(CC2)C3=CC=CC=N3

InChI

InChI=1S/C25H36N4O6S/c1-4-33-21-18-20(19-22(34-5-2)24(21)35-6-3)25(30)27-12-9-17-36(31,32)29-15-13-28(14-16-29)23-10-7-8-11-26-23/h7-8,10-11,18-19H,4-6,9,12-17H2,1-3H3,(H,27,30)