N-(2-methylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)-4-propyl-benzamide

Systemtic Name: N-(2-methylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)-4-propyl-benzamide Openeye Name: N-(2-methylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)-4-propyl-benzamide CAS Name: N-(2-methylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)-4-propylbenzamide IUPAC Name: N-(2-methylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)-4-propylbenzamide Traditional Name: N-(2-mesyl-3,4-dihydro-1H-isoquinolin-7-yl)-4-propyl-benzamide Formula: C20H24N2O3S MolecularWeight: 372.48116

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)C(=O)NC2=CC3=C(CCN(C3)S(=O)(=O)C)C=C2

Isomeric SMILES

CCCC1=CC=C(C=C1)C(=O)NC2=CC3=C(CCN(C3)S(=O)(=O)C)C=C2

InChI

InChI=1S/C20H24N2O3S/c1-3-4-15-5-7-17(8-6-15)20(23)21-19-10-9-16-11-12-22(26(2,24)25)14-18(16)13-19/h5-10,13H,3-4,11-12,14H2,1-2H3,(H,21,23)