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

Systemtic Name: 3-[2-(3,4-dihydro-1H-isochromen-1-yl)ethyl]-2-piperazin-1-yl-benzenesulfonamide hydrochloride Openeye Name: 3-(2-isochroman-1-ylethyl)-2-piperazin-1-yl-benzenesulfonamide hydrochloride CAS Name: 3-[2-(3,4-dihydro-1H-2-benzopyran-1-yl)ethyl]-2-(1-piperazinyl)benzenesulfonamide hydrochloride IUPAC Name: 3-[2-(3,4-dihydro-1H-isochromen-1-yl)ethyl]-2-piperazin-1-ylbenzenesulfonamide hydrochloride Traditional Name: 3-(2-isochroman-1-ylethyl)-2-piperazino-benzenesulfonamide hydrochloride Formula: C21H28ClN3O3S MolecularWeight: 437.98332

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Descriptors Computed from Structure

Canonical SMILES:

C1COC(C2=CC=CC=C21)CCC3=C(C(=CC=C3)S(=O)(=O)N)N4CCNCC4.Cl

Isomeric SMILES

C1COC(C2=CC=CC=C21)CCC3=C(C(=CC=C3)S(=O)(=O)N)N4CCNCC4.Cl

InChI

InChI=1S/C21H27N3O3S.ClH/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;/h1-7,19,23H,8-15H2,(H2,22,25,26);1H