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

Systemtic Name: N-[2-[(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]ethyl]-2-methylsulfanyl-benzamide Openeye Name: N-[2-[(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]ethyl]-2-methylsulfanyl-benzamide CAS Name: N-[2-[(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]ethyl]-2-(methylthio)benzamide IUPAC Name: N-[2-[(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]ethyl]-2-methylsulfanylbenzamide Traditional Name: N-[2-[(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]ethyl]-2-(methylthio)benzamide Formula: C20H24N2O4S2 MolecularWeight: 420.54556

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(CN(CC2)S(=O)(=O)CCNC(=O)C3=CC=CC=C3SC)C=C1

Isomeric SMILES

COC1=CC2=C(CN(CC2)S(=O)(=O)CCNC(=O)C3=CC=CC=C3SC)C=C1

InChI

InChI=1S/C20H24N2O4S2/c1-26-17-8-7-16-14-22(11-9-15(16)13-17)28(24,25)12-10-21-20(23)18-5-3-4-6-19(18)27-2/h3-8,13H,9-12,14H2,1-2H3,(H,21,23)