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

Systemtic Name: 3-[2-(3,4-dihydro-1H-isochromen-1-yl)ethyl]-2-piperazin-1-yl-benzenesulfonamide; methanesulfonate Openeye Name: 3-(2-isochroman-1-ylethyl)-2-piperazin-1-yl-benzenesulfonamide; methanesulfonate CAS Name: 3-[2-(3,4-dihydro-1H-2-benzopyran-1-yl)ethyl]-2-(1-piperazinyl)benzenesulfonamide; methanesulfonate IUPAC Name: 3-[2-(3,4-dihydro-1H-isochromen-1-yl)ethyl]-2-piperazin-1-ylbenzenesulfonamide; methanesulfonate Traditional Name: 3-(2-isochroman-1-ylethyl)-2-piperazino-benzenesulfonamide mesylate Formula: C22H30N3O6S2- MolecularWeight: 496.6201

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)[O-].C1COC(C2=CC=CC=C21)CCC3=C(C(=CC=C3)S(=O)(=O)N)N4CCNCC4

Isomeric SMILES

CS(=O)(=O)[O-].C1COC(C2=CC=CC=C21)CCC3=C(C(=CC=C3)S(=O)(=O)N)N4CCNCC4

InChI

InChI=1S/C21H27N3O3S.CH4O3S/c22-28(25,26)20-7-3-5-17(21(20)24-13-11-23-12-14-24)8-9-19-18-6-2-1-4-16(18)10-15-27-19;1-5(2,3)4/h1-7,19,23H,8-15H2,(H2,22,25,26);1H3,(H,2,3,4)/p-1