3-fluoranyl-4-methyl-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]benzenesulfonamide

Systemtic Name: 3-fluoranyl-4-methyl-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]benzenesulfonamide Openeye Name: 3-fluoro-4-methyl-N-[4-[4-(m-tolyl)piperazin-1-yl]butyl]benzenesulfonamide CAS Name: 3-fluoro-4-methyl-N-[4-[4-(3-methylphenyl)-1-piperazinyl]butyl]benzenesulfonamide IUPAC Name: 3-fluoro-4-methyl-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]benzenesulfonamide Traditional Name: 3-fluoro-4-methyl-N-[4-[4-(m-tolyl)piperazino]butyl]benzenesulfonamide Formula: C22H30FN3O2S MolecularWeight: 419.555903

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H30FN3O2S/c1-18-6-5-7-20(16-18)26-14-12-25(13-15-26)11-4-3-10-24-29(27,28)21-9-8-19(2)22(23)17-21/h5-9,16-17,24H,3-4,10-15H2,1-2H3