3-(4-methoxyphenyl)-N-(2-propylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)propanamide

Systemtic Name: 3-(4-methoxyphenyl)-N-(2-propylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)propanamide Openeye Name: 3-(4-methoxyphenyl)-N-(2-propylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)propanamide CAS Name: 3-(4-methoxyphenyl)-N-(2-propylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)propanamide IUPAC Name: 3-(4-methoxyphenyl)-N-(2-propylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)propanamide Traditional Name: 3-(4-methoxyphenyl)-N-(2-propylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)propionamide Formula: C22H28N2O4S MolecularWeight: 416.53372

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCS(=O)(=O)N1CCC2=C(C1)C=C(C=C2)NC(=O)CCC3=CC=C(C=C3)OC

Isomeric SMILES

CCCS(=O)(=O)N1CCC2=C(C1)C=C(C=C2)NC(=O)CCC3=CC=C(C=C3)OC

InChI

InChI=1S/C22H28N2O4S/c1-3-14-29(26,27)24-13-12-18-7-8-20(15-19(18)16-24)23-22(25)11-6-17-4-9-21(28-2)10-5-17/h4-5,7-10,15H,3,6,11-14,16H2,1-2H3,(H,23,25)