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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1COC(C2=C1C=C(C=C2)F)CCN(N3CCNCC3)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

C1COC(C2=C1C=C(C=C2)F)CCN(N3CCNCC3)S(=O)(=O)C4=CC=CC=C4

InChI

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