4-fluoranyl-N-[4-[4-(2-methylphenyl)piperazin-1-yl]-4-oxidanylidene-butyl]benzenesulfonamide

Systemtic Name: 4-fluoranyl-N-[4-[4-(2-methylphenyl)piperazin-1-yl]-4-oxidanylidene-butyl]benzenesulfonamide Openeye Name: 4-fluoro-N-[4-[4-(o-tolyl)piperazin-1-yl]-4-oxo-butyl]benzenesulfonamide CAS Name: 4-fluoro-N-[4-[4-(2-methylphenyl)-1-piperazinyl]-4-oxobutyl]benzenesulfonamide IUPAC Name: 4-fluoro-N-[4-[4-(2-methylphenyl)piperazin-1-yl]-4-oxobutyl]benzenesulfonamide Traditional Name: 4-fluoro-N-[4-keto-4-[4-(o-tolyl)piperazino]butyl]benzenesulfonamide Formula: C21H26FN3O3S MolecularWeight: 419.512843

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2CCN(CC2)C(=O)CCCNS(=O)(=O)C3=CC=C(C=C3)F

Isomeric SMILES

CC1=CC=CC=C1N2CCN(CC2)C(=O)CCCNS(=O)(=O)C3=CC=C(C=C3)F

InChI

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