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

Systemtic Name: 3,4,5-trimethoxy-N-(2-propylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide Openeye Name: 3,4,5-trimethoxy-N-(2-propylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide CAS Name: 3,4,5-trimethoxy-N-(2-propylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide IUPAC Name: 3,4,5-trimethoxy-N-(2-propylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide Traditional Name: 3,4,5-trimethoxy-N-(2-propylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide Formula: C22H28N2O6S MolecularWeight: 448.53252

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28N2O6S/c1-5-10-31(26,27)24-9-8-15-6-7-18(11-17(15)14-24)23-22(25)16-12-19(28-2)21(30-4)20(13-16)29-3/h6-7,11-13H,5,8-10,14H2,1-4H3,(H,23,25)