2-(2,5-dimethoxyphenyl)sulfonyl-N-[2-(phenylmethylsulfanyl)ethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide

Systemtic Name: 2-(2,5-dimethoxyphenyl)sulfonyl-N-[2-(phenylmethylsulfanyl)ethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: N-(2-benzylsulfanylethyl)-2-(2,5-dimethoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: 2-(2,5-dimethoxyphenyl)sulfonyl-N-[2-(phenylmethylthio)ethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: N-(2-benzylsulfanylethyl)-2-(2,5-dimethoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: N-[2-(benzylthio)ethyl]-2-(2,5-dimethoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C27H30N2O5S2 MolecularWeight: 526.6675

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)S(=O)(=O)N2CC3=CC=CC=C3CC2C(=O)NCCSCC4=CC=CC=C4

Isomeric SMILES

COC1=CC(=C(C=C1)OC)S(=O)(=O)N2CC3=CC=CC=C3CC2C(=O)NCCSCC4=CC=CC=C4

InChI

InChI=1S/C27H30N2O5S2/c1-33-23-12-13-25(34-2)26(17-23)36(31,32)29-18-22-11-7-6-10-21(22)16-24(29)27(30)28-14-15-35-19-20-8-4-3-5-9-20/h3-13,17,24H,14-16,18-19H2,1-2H3,(H,28,30)