N-[2-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]ethyl]-2-ethylsulfanyl-benzamide

Systemtic Name: N-[2-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]ethyl]-2-ethylsulfanyl-benzamide Openeye Name: N-[2-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]ethyl]-2-ethylsulfanyl-benzamide CAS Name: N-[2-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]ethyl]-2-(ethylthio)benzamide IUPAC Name: N-[2-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]ethyl]-2-ethylsulfanylbenzamide Traditional Name: N-[2-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]ethyl]-2-(ethylthio)benzamide Formula: C22H28N2O5S2 MolecularWeight: 464.59812

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCSC1=CC=CC=C1C(=O)NCCS(=O)(=O)N2CCC3=CC(=C(C=C3C2)OC)OC

Isomeric SMILES

CCSC1=CC=CC=C1C(=O)NCCS(=O)(=O)N2CCC3=CC(=C(C=C3C2)OC)OC

InChI

InChI=1S/C22H28N2O5S2/c1-4-30-21-8-6-5-7-18(21)22(25)23-10-12-31(26,27)24-11-9-16-13-19(28-2)20(29-3)14-17(16)15-24/h5-8,13-14H,4,9-12,15H2,1-3H3,(H,23,25)