N-[2-(3-fluoranylpiperazin-1-yl)-2-[4-(2-methylpropyl)phenyl]ethyl]benzenesulfonamide

Systemtic Name: N-[2-(3-fluoranylpiperazin-1-yl)-2-[4-(2-methylpropyl)phenyl]ethyl]benzenesulfonamide Openeye Name: N-[2-(3-fluoropiperazin-1-yl)-2-(4-isobutylphenyl)ethyl]benzenesulfonamide CAS Name: N-[2-(3-fluoro-1-piperazinyl)-2-[4-(2-methylpropyl)phenyl]ethyl]benzenesulfonamide IUPAC Name: N-[2-(3-fluoropiperazin-1-yl)-2-[4-(2-methylpropyl)phenyl]ethyl]benzenesulfonamide Traditional Name: N-[2-(3-fluoropiperazino)-2-(4-isobutylphenyl)ethyl]benzenesulfonamide Formula: C22H30FN3O2S MolecularWeight: 419.555903

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=CC=C(C=C1)C(CNS(=O)(=O)C2=CC=CC=C2)N3CCNC(C3)F

Isomeric SMILES

CC(C)CC1=CC=C(C=C1)C(CNS(=O)(=O)C2=CC=CC=C2)N3CCNC(C3)F

InChI

InChI=1S/C22H30FN3O2S/c1-17(2)14-18-8-10-19(11-9-18)21(26-13-12-24-22(23)16-26)15-25-29(27,28)20-6-4-3-5-7-20/h3-11,17,21-22,24-25H,12-16H2,1-2H3