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

Systemtic Name: 3,5-dimethoxy-N-(2-propylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide Openeye Name: 3,5-dimethoxy-N-(2-propylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide CAS Name: 3,5-dimethoxy-N-(2-propylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide IUPAC Name: 3,5-dimethoxy-N-(2-propylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide Traditional Name: 3,5-dimethoxy-N-(2-propylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide Formula: C21H26N2O5S MolecularWeight: 418.50654

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N2O5S/c1-4-9-29(25,26)23-8-7-15-5-6-18(10-17(15)14-23)22-21(24)16-11-19(27-2)13-20(12-16)28-3/h5-6,10-13H,4,7-9,14H2,1-3H3,(H,22,24)