(3R)-2-(2,5-dimethoxyphenyl)sulfonyl-N-(4-ethanoylphenyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide

Systemtic Name: (3R)-2-(2,5-dimethoxyphenyl)sulfonyl-N-(4-ethanoylphenyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: (3R)-N-(4-acetylphenyl)-2-(2,5-dimethoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: (3R)-N-(4-acetylphenyl)-2-(2,5-dimethoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: (3R)-N-(4-acetylphenyl)-2-(2,5-dimethoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: (3R)-N-(4-acetylphenyl)-2-(2,5-dimethoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C26H26N2O6S MolecularWeight: 494.55944

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)NC(=O)C2CC3=CC=CC=C3CN2S(=O)(=O)C4=C(C=CC(=C4)OC)OC

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)NC(=O)[C@H]2CC3=CC=CC=C3CN2S(=O)(=O)C4=C(C=CC(=C4)OC)OC

InChI

InChI=1S/C26H26N2O6S/c1-17(29)18-8-10-21(11-9-18)27-26(30)23-14-19-6-4-5-7-20(19)16-28(23)35(31,32)25-15-22(33-2)12-13-24(25)34-3/h4-13,15,23H,14,16H2,1-3H3,(H,27,30)/t23-/m1/s1