2-[2-(2,1,3-benzoxadiazol-4-ylsulfonyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]ethanenitrile

Systemtic Name: 2-[2-(2,1,3-benzoxadiazol-4-ylsulfonyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]ethanenitrile Openeye Name: 2-[2-(2,1,3-benzoxadiazol-4-ylsulfonyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]acetonitrile CAS Name: 2-[2-(2,1,3-benzoxadiazol-4-ylsulfonyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]acetonitrile IUPAC Name: 2-[2-(2,1,3-benzoxadiazol-4-ylsulfonyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]acetonitrile Traditional Name: 2-(2-benzofurazan-4-ylsulfonyl-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl)acetonitrile Formula: C19H18N4O5S MolecularWeight: 414.43502

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(N(CCC2=C1)S(=O)(=O)C3=CC=CC4=NON=C43)CC#N)OC

Isomeric SMILES

COC1=C(C=C2C(N(CCC2=C1)S(=O)(=O)C3=CC=CC4=NON=C43)CC#N)OC

InChI

InChI=1S/C19H18N4O5S/c1-26-16-10-12-7-9-23(15(6-8-20)13(12)11-17(16)27-2)29(24,25)18-5-3-4-14-19(18)22-28-21-14/h3-5,10-11,15H,6-7,9H2,1-2H3