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

Systemtic Name: 4-(dimethylamino)-N-(2-propylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide Openeye Name: 4-(dimethylamino)-N-(2-propylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide CAS Name: 4-(dimethylamino)-N-(2-propylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide IUPAC Name: 4-(dimethylamino)-N-(2-propylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide Traditional Name: 4-(dimethylamino)-N-(2-propylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide Formula: C21H27N3O3S MolecularWeight: 401.52238

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)N(C)C

Isomeric SMILES

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

InChI

InChI=1S/C21H27N3O3S/c1-4-13-28(26,27)24-12-11-16-5-8-19(14-18(16)15-24)22-21(25)17-6-9-20(10-7-17)23(2)3/h5-10,14H,4,11-13,15H2,1-3H3,(H,22,25)