N-(4-azanylbutyl)-2-[6,7-dimethoxy-2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-1-yl]ethanamide

Systemtic Name: N-(4-azanylbutyl)-2-[6,7-dimethoxy-2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-1-yl]ethanamide Openeye Name: N-(4-aminobutyl)-2-[6,7-dimethoxy-2-(p-tolylsulfonyl)-3,4-dihydro-1H-isoquinolin-1-yl]acetamide CAS Name: N-(4-aminobutyl)-2-[6,7-dimethoxy-2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-1-yl]acetamide IUPAC Name: N-(4-aminobutyl)-2-[6,7-dimethoxy-2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-1-yl]acetamide Traditional Name: N-(4-aminobutyl)-2-(6,7-dimethoxy-2-tosyl-3,4-dihydro-1H-isoquinolin-1-yl)acetamide Formula: C24H33N3O5S MolecularWeight: 475.60092

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCC3=CC(=C(C=C3C2CC(=O)NCCCCN)OC)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC3=CC(=C(C=C3C2CC(=O)NCCCCN)OC)OC

InChI

InChI=1S/C24H33N3O5S/c1-17-6-8-19(9-7-17)33(29,30)27-13-10-18-14-22(31-2)23(32-3)15-20(18)21(27)16-24(28)26-12-5-4-11-25/h6-9,14-15,21H,4-5,10-13,16,25H2,1-3H3,(H,26,28)