4-[(6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]benzenecarbonitrile

Systemtic Name: 4-[(6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]benzenecarbonitrile Openeye Name: 4-[[6,7-dimethoxy-1-(2-thienyl)-3,4-dihydro-1H-isoquinolin-2-yl]sulfonyl]benzonitrile CAS Name: 4-[(6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]benzonitrile IUPAC Name: 4-[(6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]benzonitrile Traditional Name: 4-[[6,7-dimethoxy-1-(2-thienyl)-3,4-dihydro-1H-isoquinolin-2-yl]sulfonyl]benzonitrile Formula: C22H20N2O4S2 MolecularWeight: 440.5352

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(N(CCC2=C1)S(=O)(=O)C3=CC=C(C=C3)C#N)C4=CC=CS4)OC

Isomeric SMILES

COC1=C(C=C2C(N(CCC2=C1)S(=O)(=O)C3=CC=C(C=C3)C#N)C4=CC=CS4)OC

InChI

InChI=1S/C22H20N2O4S2/c1-27-19-12-16-9-10-24(30(25,26)17-7-5-15(14-23)6-8-17)22(21-4-3-11-29-21)18(16)13-20(19)28-2/h3-8,11-13,22H,9-10H2,1-2H3