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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1COC(C2=C1C=C(C=C2)F)CCC3=C(C(=CC=C3)S(=O)(=O)N)N4CCNCC4

Isomeric SMILES

C1COC(C2=C1C=C(C=C2)F)CCC3=C(C(=CC=C3)S(=O)(=O)N)N4CCNCC4

InChI

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