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

Systemtic Name: (3S)-N-(4-methylphenyl)-2-methylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: (3S)-2-methylsulfonyl-N-(p-tolyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: (3S)-N-(4-methylphenyl)-2-methylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: (3S)-N-(4-methylphenyl)-2-methylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: (3S)-2-mesyl-N-(p-tolyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C18H20N2O3S MolecularWeight: 344.428

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)C2CC3=CC=CC=C3CN2S(=O)(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)[C@@H]2CC3=CC=CC=C3CN2S(=O)(=O)C

InChI

InChI=1S/C18H20N2O3S/c1-13-7-9-16(10-8-13)19-18(21)17-11-14-5-3-4-6-15(14)12-20(17)24(2,22)23/h3-10,17H,11-12H2,1-2H3,(H,19,21)/t17-/m0/s1