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

Systemtic Name: N-(3,4-dimethoxyphenyl)-2-methylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: N-(3,4-dimethoxyphenyl)-2-methylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: N-(3,4-dimethoxyphenyl)-2-methylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: N-(3,4-dimethoxyphenyl)-2-methylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: N-(3,4-dimethoxyphenyl)-2-mesyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C19H22N2O5S MolecularWeight: 390.45338

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)C2CC3=CC=CC=C3CN2S(=O)(=O)C)OC

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)C2CC3=CC=CC=C3CN2S(=O)(=O)C)OC

InChI

InChI=1S/C19H22N2O5S/c1-25-17-9-8-15(11-18(17)26-2)20-19(22)16-10-13-6-4-5-7-14(13)12-21(16)27(3,23)24/h4-9,11,16H,10,12H2,1-3H3,(H,20,22)