(3S)-N-(4-acetamidophenyl)-2-methylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide

Systemtic Name: (3S)-N-(4-acetamidophenyl)-2-methylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: (3S)-N-(4-acetamidophenyl)-2-methylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: (3S)-N-(4-acetamidophenyl)-2-methylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: (3S)-N-(4-acetamidophenyl)-2-methylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: (3S)-N-(4-acetamidophenyl)-2-mesyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C19H21N3O4S MolecularWeight: 387.45274

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)NC(=O)C2CC3=CC=CC=C3CN2S(=O)(=O)C

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)NC(=O)[C@@H]2CC3=CC=CC=C3CN2S(=O)(=O)C

InChI

InChI=1S/C19H21N3O4S/c1-13(23)20-16-7-9-17(10-8-16)21-19(24)18-11-14-5-3-4-6-15(14)12-22(18)27(2,25)26/h3-10,18H,11-12H2,1-2H3,(H,20,23)(H,21,24)/t18-/m0/s1