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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CC(N1CCC2C3=CC=CC=C3CCO2)C)C4=CC=C(C=C4)S(=O)(=O)N

Isomeric SMILES

CC1CN(CC(N1CCC2C3=CC=CC=C3CCO2)C)C4=CC=C(C=C4)S(=O)(=O)N

InChI

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