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

Systemtic Name: N-[2-(3,4-dihydro-1H-isochromen-1-yl)ethyl]-3-(3-methylpiperazin-1-yl)benzenesulfonamide Openeye Name: N-(2-isochroman-1-ylethyl)-3-(3-methylpiperazin-1-yl)benzenesulfonamide CAS Name: N-[2-(3,4-dihydro-1H-2-benzopyran-1-yl)ethyl]-3-(3-methyl-1-piperazinyl)benzenesulfonamide IUPAC Name: N-[2-(3,4-dihydro-1H-isochromen-1-yl)ethyl]-3-(3-methylpiperazin-1-yl)benzenesulfonamide Traditional Name: N-(2-isochroman-1-ylethyl)-3-(3-methylpiperazino)benzenesulfonamide Formula: C22H29N3O3S MolecularWeight: 415.54896

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1)C2=CC(=CC=C2)S(=O)(=O)NCCC3C4=CC=CC=C4CCO3

Isomeric SMILES

CC1CN(CCN1)C2=CC(=CC=C2)S(=O)(=O)NCCC3C4=CC=CC=C4CCO3

InChI

InChI=1S/C22H29N3O3S/c1-17-16-25(13-12-23-17)19-6-4-7-20(15-19)29(26,27)24-11-9-22-21-8-3-2-5-18(21)10-14-28-22/h2-8,15,17,22-24H,9-14,16H2,1H3