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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(OCC2)CCN3CCN(CC3)C4=CC=C(C=C4)S(=O)(=O)N

Isomeric SMILES

CC1=CC2=C(C=C1)C(OCC2)CCN3CCN(CC3)C4=CC=C(C=C4)S(=O)(=O)N

InChI

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