N-[(3,4-dimethoxyphenyl)methyl]-2-(3,4-dimethoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide

Systemtic Name: N-[(3,4-dimethoxyphenyl)methyl]-2-(3,4-dimethoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: N-[(3,4-dimethoxyphenyl)methyl]-2-(3,4-dimethoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: N-[(3,4-dimethoxyphenyl)methyl]-2-(3,4-dimethoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: N-[(3,4-dimethoxyphenyl)methyl]-2-(3,4-dimethoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: 2-(3,4-dimethoxyphenyl)sulfonyl-N-veratryl-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C27H30N2O7S MolecularWeight: 526.6013

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC(=O)C2CC3=CC=CC=C3CN2S(=O)(=O)C4=CC(=C(C=C4)OC)OC)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CNC(=O)C2CC3=CC=CC=C3CN2S(=O)(=O)C4=CC(=C(C=C4)OC)OC)OC

InChI

InChI=1S/C27H30N2O7S/c1-33-23-11-9-18(13-25(23)35-3)16-28-27(30)22-14-19-7-5-6-8-20(19)17-29(22)37(31,32)21-10-12-24(34-2)26(15-21)36-4/h5-13,15,22H,14,16-17H2,1-4H3,(H,28,30)