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

Systemtic Name: 3-(phenylsulfonyl)-N-(2-propylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)propanamide Openeye Name: 3-(benzenesulfonyl)-N-(2-propylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)propanamide CAS Name: 3-(benzenesulfonyl)-N-(2-propylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)propanamide IUPAC Name: 3-(benzenesulfonyl)-N-(2-propylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)propanamide Traditional Name: 3-besyl-N-(2-propylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)propionamide Formula: C21H26N2O5S2 MolecularWeight: 450.57154

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N2O5S2/c1-2-13-30(27,28)23-12-10-17-8-9-19(15-18(17)16-23)22-21(24)11-14-29(25,26)20-6-4-3-5-7-20/h3-9,15H,2,10-14,16H2,1H3,(H,22,24)