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

Systemtic Name: 4-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]benzenecarbonitrile Openeye Name: 4-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]benzonitrile CAS Name: 4-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]benzonitrile IUPAC Name: 4-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]benzonitrile Traditional Name: 4-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]benzonitrile Formula: C18H18N2O4S MolecularWeight: 358.41152

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2CN(CCC2=C1)S(=O)(=O)C3=CC=C(C=C3)C#N)OC

Isomeric SMILES

COC1=C(C=C2CN(CCC2=C1)S(=O)(=O)C3=CC=C(C=C3)C#N)OC

InChI

InChI=1S/C18H18N2O4S/c1-23-17-9-14-7-8-20(12-15(14)10-18(17)24-2)25(21,22)16-5-3-13(11-19)4-6-16/h3-6,9-10H,7-8,12H2,1-2H3