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

Systemtic Name: N-[2-[2-(3,4-dihydro-1H-isochromen-1-yl)ethyl]piperazin-1-yl]benzenesulfonamide Openeye Name: N-[2-(2-isochroman-1-ylethyl)piperazin-1-yl]benzenesulfonamide CAS Name: N-[2-[2-(3,4-dihydro-1H-2-benzopyran-1-yl)ethyl]-1-piperazinyl]benzenesulfonamide IUPAC Name: N-[2-[2-(3,4-dihydro-1H-isochromen-1-yl)ethyl]piperazin-1-yl]benzenesulfonamide Traditional Name: N-[2-(2-isochroman-1-ylethyl)piperazino]benzenesulfonamide Formula: C21H27N3O3S MolecularWeight: 401.52238

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Descriptors Computed from Structure

Canonical SMILES:

C1COC(C2=CC=CC=C21)CCC3CNCCN3NS(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

C1COC(C2=CC=CC=C21)CCC3CNCCN3NS(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C21H27N3O3S/c25-28(26,19-7-2-1-3-8-19)23-24-14-13-22-16-18(24)10-11-21-20-9-5-4-6-17(20)12-15-27-21/h1-9,18,21-23H,10-16H2