3-[2-(3,4-dihydro-1H-isochromen-1-yl)ethyl]-2-(3,5-dimethylpiperazin-1-yl)benzenesulfonamide

Systemtic Name: 3-[2-(3,4-dihydro-1H-isochromen-1-yl)ethyl]-2-(3,5-dimethylpiperazin-1-yl)benzenesulfonamide Openeye Name: 2-(3,5-dimethylpiperazin-1-yl)-3-(2-isochroman-1-ylethyl)benzenesulfonamide CAS Name: 3-[2-(3,4-dihydro-1H-2-benzopyran-1-yl)ethyl]-2-(3,5-dimethyl-1-piperazinyl)benzenesulfonamide IUPAC Name: 3-[2-(3,4-dihydro-1H-isochromen-1-yl)ethyl]-2-(3,5-dimethylpiperazin-1-yl)benzenesulfonamide Traditional Name: 2-(3,5-dimethylpiperazino)-3-(2-isochroman-1-ylethyl)benzenesulfonamide Formula: C23H31N3O3S MolecularWeight: 429.57554

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CC(N1)C)C2=C(C=CC=C2S(=O)(=O)N)CCC3C4=CC=CC=C4CCO3

Isomeric SMILES

CC1CN(CC(N1)C)C2=C(C=CC=C2S(=O)(=O)N)CCC3C4=CC=CC=C4CCO3

InChI

InChI=1S/C23H31N3O3S/c1-16-14-26(15-17(2)25-16)23-19(7-5-9-22(23)30(24,27)28)10-11-21-20-8-4-3-6-18(20)12-13-29-21/h3-9,16-17,21,25H,10-15H2,1-2H3,(H2,24,27,28)