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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1COC(C2=CC=CC=C21)CCN(N3CCNCC3)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

C1COC(C2=CC=CC=C21)CCN(N3CCNCC3)S(=O)(=O)C4=CC=CC=C4

InChI

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