3-fluoranyl-N-[3-[4-(3-methylphenyl)piperazin-1-yl]sulfonylpropyl]benzamide

Systemtic Name: 3-fluoranyl-N-[3-[4-(3-methylphenyl)piperazin-1-yl]sulfonylpropyl]benzamide Openeye Name: 3-fluoro-N-[3-[4-(m-tolyl)piperazin-1-yl]sulfonylpropyl]benzamide CAS Name: 3-fluoro-N-[3-[[4-(3-methylphenyl)-1-piperazinyl]sulfonyl]propyl]benzamide IUPAC Name: 3-fluoro-N-[3-[4-(3-methylphenyl)piperazin-1-yl]sulfonylpropyl]benzamide Traditional Name: 3-fluoro-N-[3-[4-(m-tolyl)piperazino]sulfonylpropyl]benzamide Formula: C21H26FN3O3S MolecularWeight: 419.512843

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2CCN(CC2)S(=O)(=O)CCCNC(=O)C3=CC(=CC=C3)F

Isomeric SMILES

CC1=CC(=CC=C1)N2CCN(CC2)S(=O)(=O)CCCNC(=O)C3=CC(=CC=C3)F

InChI

InChI=1S/C21H26FN3O3S/c1-17-5-2-8-20(15-17)24-10-12-25(13-11-24)29(27,28)14-4-9-23-21(26)18-6-3-7-19(22)16-18/h2-3,5-8,15-16H,4,9-14H2,1H3,(H,23,26)