(3S)-N-(2-ethyl-6-methyl-phenyl)-2-methylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide

Systemtic Name: (3S)-N-(2-ethyl-6-methyl-phenyl)-2-methylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: (3S)-N-(2-ethyl-6-methyl-phenyl)-2-methylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: (3S)-N-(2-ethyl-6-methylphenyl)-2-methylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: (3S)-N-(2-ethyl-6-methylphenyl)-2-methylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: (3S)-N-(2-ethyl-6-methyl-phenyl)-2-mesyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C20H24N2O3S MolecularWeight: 372.48116

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=O)C2CC3=CC=CC=C3CN2S(=O)(=O)C)C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=O)[C@@H]2CC3=CC=CC=C3CN2S(=O)(=O)C)C

InChI

InChI=1S/C20H24N2O3S/c1-4-15-11-7-8-14(2)19(15)21-20(23)18-12-16-9-5-6-10-17(16)13-22(18)26(3,24)25/h5-11,18H,4,12-13H2,1-3H3,(H,21,23)/t18-/m0/s1