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

Systemtic Name: N-[2-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]ethyl]-2-methylsulfanyl-benzamide Openeye Name: N-[2-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]ethyl]-2-methylsulfanyl-benzamide CAS Name: N-[2-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]ethyl]-2-(methylthio)benzamide IUPAC Name: N-[2-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]ethyl]-2-methylsulfanylbenzamide Traditional Name: N-[2-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]ethyl]-2-(methylthio)benzamide Formula: C21H26N2O5S2 MolecularWeight: 450.57154

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2CN(CCC2=C1)S(=O)(=O)CCNC(=O)C3=CC=CC=C3SC)OC

Isomeric SMILES

COC1=C(C=C2CN(CCC2=C1)S(=O)(=O)CCNC(=O)C3=CC=CC=C3SC)OC

InChI

InChI=1S/C21H26N2O5S2/c1-27-18-12-15-8-10-23(14-16(15)13-19(18)28-2)30(25,26)11-9-22-21(24)17-6-4-5-7-20(17)29-3/h4-7,12-13H,8-11,14H2,1-3H3,(H,22,24)