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

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

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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)N(C)C

Isomeric SMILES

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

InChI

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