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

Systemtic Name: N-[3-[(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]propyl]-2-methylsulfanyl-benzamide Openeye Name: N-[3-[(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]propyl]-2-methylsulfanyl-benzamide CAS Name: N-[3-[(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]propyl]-2-(methylthio)benzamide IUPAC Name: N-[3-[(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]propyl]-2-methylsulfanylbenzamide Traditional Name: N-[3-[(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]propyl]-2-(methylthio)benzamide Formula: C21H26N2O4S2 MolecularWeight: 434.57214

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N2O4S2/c1-27-18-9-8-17-15-23(12-10-16(17)14-18)29(25,26)13-5-11-22-21(24)19-6-3-4-7-20(19)28-2/h3-4,6-9,14H,5,10-13,15H2,1-2H3,(H,22,24)