3-[2-(6-methyl-3,4-dihydro-1H-isochromen-1-yl)ethyl]-2-piperazin-1-yl-benzenesulfonamide

Systemtic Name: 3-[2-(6-methyl-3,4-dihydro-1H-isochromen-1-yl)ethyl]-2-piperazin-1-yl-benzenesulfonamide Openeye Name: 3-[2-(6-methylisochroman-1-yl)ethyl]-2-piperazin-1-yl-benzenesulfonamide CAS Name: 3-[2-(6-methyl-3,4-dihydro-1H-2-benzopyran-1-yl)ethyl]-2-(1-piperazinyl)benzenesulfonamide IUPAC Name: 3-[2-(6-methyl-3,4-dihydro-1H-isochromen-1-yl)ethyl]-2-piperazin-1-ylbenzenesulfonamide Traditional Name: 3-[2-(6-methylisochroman-1-yl)ethyl]-2-piperazino-benzenesulfonamide Formula: C22H29N3O3S MolecularWeight: 415.54896

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(OCC2)CCC3=C(C(=CC=C3)S(=O)(=O)N)N4CCNCC4

Isomeric SMILES

CC1=CC2=C(C=C1)C(OCC2)CCC3=C(C(=CC=C3)S(=O)(=O)N)N4CCNCC4

InChI

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