4-butoxy-N-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]sulfonylethyl]benzamide

Systemtic Name: 4-butoxy-N-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]sulfonylethyl]benzamide Openeye Name: 4-butoxy-N-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]sulfonylethyl]benzamide CAS Name: 4-butoxy-N-[2-[[4-[3-(trifluoromethyl)phenyl]-1-piperazinyl]sulfonyl]ethyl]benzamide IUPAC Name: 4-butoxy-N-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]sulfonylethyl]benzamide Traditional Name: 4-butoxy-N-[2-[4-[3-(trifluoromethyl)phenyl]piperazino]sulfonylethyl]benzamide Formula: C24H30F3N3O4S MolecularWeight: 513.57291

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(=C3)C(F)(F)F

Isomeric SMILES

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

InChI

InChI=1S/C24H30F3N3O4S/c1-2-3-16-34-22-9-7-19(8-10-22)23(31)28-11-17-35(32,33)30-14-12-29(13-15-30)21-6-4-5-20(18-21)24(25,26)27/h4-10,18H,2-3,11-17H2,1H3,(H,28,31)