2-[[4-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)carbonyl]phenyl]methylsulfonyl]ethanenitrile

Systemtic Name: 2-[[4-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)carbonyl]phenyl]methylsulfonyl]ethanenitrile Openeye Name: 2-[[4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]methylsulfonyl]acetonitrile CAS Name: 2-[[4-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-oxomethyl]phenyl]methylsulfonyl]acetonitrile IUPAC Name: 2-[[4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]methylsulfonyl]acetonitrile Traditional Name: 2-[4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)benzyl]sulfonylacetonitrile Formula: C21H22N2O5S MolecularWeight: 414.47478

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N2O5S/c1-27-19-11-17-7-9-23(13-18(17)12-20(19)28-2)21(24)16-5-3-15(4-6-16)14-29(25,26)10-8-22/h3-6,11-12H,7,9-10,13-14H2,1-2H3