3-fluoranyl-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butan-2-yl]benzenesulfonamide

Systemtic Name: 3-fluoranyl-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butan-2-yl]benzenesulfonamide Openeye Name: 3-fluoro-N-[1-methyl-3-[4-(m-tolyl)piperazin-1-yl]propyl]benzenesulfonamide CAS Name: 3-fluoro-N-[4-[4-(3-methylphenyl)-1-piperazinyl]butan-2-yl]benzenesulfonamide IUPAC Name: 3-fluoro-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butan-2-yl]benzenesulfonamide Traditional Name: 3-fluoro-N-[1-methyl-3-[4-(m-tolyl)piperazino]propyl]benzenesulfonamide Formula: C21H28FN3O2S MolecularWeight: 405.529323

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2CCN(CC2)CCC(C)NS(=O)(=O)C3=CC=CC(=C3)F

Isomeric SMILES

CC1=CC(=CC=C1)N2CCN(CC2)CCC(C)NS(=O)(=O)C3=CC=CC(=C3)F

InChI

InChI=1S/C21H28FN3O2S/c1-17-5-3-7-20(15-17)25-13-11-24(12-14-25)10-9-18(2)23-28(26,27)21-8-4-6-19(22)16-21/h3-8,15-16,18,23H,9-14H2,1-2H3