4-[4-[2-(6-fluoranyl-3,4-dihydro-1H-isochromen-1-yl)ethyl]piperazin-1-yl]benzenesulfonamide

Systemtic Name: 4-[4-[2-(6-fluoranyl-3,4-dihydro-1H-isochromen-1-yl)ethyl]piperazin-1-yl]benzenesulfonamide Openeye Name: 4-[4-[2-(6-fluoroisochroman-1-yl)ethyl]piperazin-1-yl]benzenesulfonamide CAS Name: 4-[4-[2-(6-fluoro-3,4-dihydro-1H-2-benzopyran-1-yl)ethyl]-1-piperazinyl]benzenesulfonamide IUPAC Name: 4-[4-[2-(6-fluoro-3,4-dihydro-1H-isochromen-1-yl)ethyl]piperazin-1-yl]benzenesulfonamide Traditional Name: 4-[4-[2-(6-fluoroisochroman-1-yl)ethyl]piperazino]benzenesulfonamide Formula: C21H26FN3O3S MolecularWeight: 419.512843

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Descriptors Computed from Structure

Canonical SMILES:

C1COC(C2=C1C=C(C=C2)F)CCN3CCN(CC3)C4=CC=C(C=C4)S(=O)(=O)N

Isomeric SMILES

C1COC(C2=C1C=C(C=C2)F)CCN3CCN(CC3)C4=CC=C(C=C4)S(=O)(=O)N

InChI

InChI=1S/C21H26FN3O3S/c22-17-1-6-20-16(15-17)8-14-28-21(20)7-9-24-10-12-25(13-11-24)18-2-4-19(5-3-18)29(23,26)27/h1-6,15,21H,7-14H2,(H2,23,26,27)