5-[(7,8-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]-N-(3-methylsulfanylpropyl)furan-2-carboxamide

Systemtic Name: 5-[(7,8-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]-N-(3-methylsulfanylpropyl)furan-2-carboxamide Openeye Name: 5-[(7,8-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]-N-(3-methylsulfanylpropyl)furan-2-carboxamide CAS Name: 5-[(7,8-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]-N-[3-(methylthio)propyl]-2-furancarboxamide IUPAC Name: 5-[(7,8-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]-N-(3-methylsulfanylpropyl)furan-2-carboxamide Traditional Name: 5-[(7,8-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]-N-[3-(methylthio)propyl]-2-furamide Formula: C20H26N2O6S2 MolecularWeight: 454.56024

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C2=C(CCN(C2)S(=O)(=O)C3=CC=C(O3)C(=O)NCCCSC)C=C1)OC

Isomeric SMILES

COC1=C(C2=C(CCN(C2)S(=O)(=O)C3=CC=C(O3)C(=O)NCCCSC)C=C1)OC

InChI

InChI=1S/C20H26N2O6S2/c1-26-16-6-5-14-9-11-22(13-15(14)19(16)27-2)30(24,25)18-8-7-17(28-18)20(23)21-10-4-12-29-3/h5-8H,4,9-13H2,1-3H3,(H,21,23)