1-(3,5-dimethoxyphenyl)-N-(2-propylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)methanesulfonamide

Systemtic Name: 1-(3,5-dimethoxyphenyl)-N-(2-propylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)methanesulfonamide Openeye Name: 1-(3,5-dimethoxyphenyl)-N-(2-propylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)methanesulfonamide CAS Name: 1-(3,5-dimethoxyphenyl)-N-(2-propylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)methanesulfonamide IUPAC Name: 1-(3,5-dimethoxyphenyl)-N-(2-propylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)methanesulfonamide Traditional Name: 1-(3,5-dimethoxyphenyl)-N-(2-propylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)methanesulfonamide Formula: C21H28N2O6S2 MolecularWeight: 468.58682

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCS(=O)(=O)N1CCC2=C(C1)C=C(C=C2)NS(=O)(=O)CC3=CC(=CC(=C3)OC)OC

Isomeric SMILES

CCCS(=O)(=O)N1CCC2=C(C1)C=C(C=C2)NS(=O)(=O)CC3=CC(=CC(=C3)OC)OC

InChI

InChI=1S/C21H28N2O6S2/c1-4-9-31(26,27)23-8-7-17-5-6-19(12-18(17)14-23)22-30(24,25)15-16-10-20(28-2)13-21(11-16)29-3/h5-6,10-13,22H,4,7-9,14-15H2,1-3H3