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

Systemtic Name: 4-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]butanenitrile Openeye Name: 4-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]butanenitrile CAS Name: 4-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]butanenitrile IUPAC Name: 4-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]butanenitrile Traditional Name: 4-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]butyronitrile Formula: C15H20N2O4S MolecularWeight: 324.3953

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H20N2O4S/c1-20-14-9-12-5-7-17(11-13(12)10-15(14)21-2)22(18,19)8-4-3-6-16/h9-10H,3-5,7-8,11H2,1-2H3