4-butoxy-N-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethyl]benzamide

Systemtic Name: 4-butoxy-N-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethyl]benzamide Openeye Name: 4-butoxy-N-[2-[4-(2-pyridyl)piperazin-1-yl]sulfonylethyl]benzamide CAS Name: 4-butoxy-N-[2-[[4-(2-pyridinyl)-1-piperazinyl]sulfonyl]ethyl]benzamide IUPAC Name: 4-butoxy-N-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethyl]benzamide Traditional Name: 4-butoxy-N-[2-[4-(2-pyridyl)piperazino]sulfonylethyl]benzamide Formula: C22H30N4O4S MolecularWeight: 446.563

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)NCCS(=O)(=O)N2CCN(CC2)C3=CC=CC=N3

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)NCCS(=O)(=O)N2CCN(CC2)C3=CC=CC=N3

InChI

InChI=1S/C22H30N4O4S/c1-2-3-17-30-20-9-7-19(8-10-20)22(27)24-12-18-31(28,29)26-15-13-25(14-16-26)21-6-4-5-11-23-21/h4-11H,2-3,12-18H2,1H3,(H,24,27)