N-[2-[N-(2-cyano-4,5-dimethoxy-3-pyridin-2-yl-phenyl)-C-methyl-carbonimidoyl]-3,4-dihydro-1H-isoquinolin-5-yl]methanesulfonamide

Systemtic Name: N-[2-[N-(2-cyano-4,5-dimethoxy-3-pyridin-2-yl-phenyl)-C-methyl-carbonimidoyl]-3,4-dihydro-1H-isoquinolin-5-yl]methanesulfonamide Openeye Name: N-[2-[N-[2-cyano-4,5-dimethoxy-3-(2-pyridyl)phenyl]-C-methyl-carbonimidoyl]-3,4-dihydro-1H-isoquinolin-5-yl]methanesulfonamide CAS Name: N-[2-[1-[2-cyano-4,5-dimethoxy-3-(2-pyridinyl)phenyl]iminoethyl]-3,4-dihydro-1H-isoquinolin-5-yl]methanesulfonamide IUPAC Name: N-[2-[N-(2-cyano-4,5-dimethoxy-3-pyridin-2-ylphenyl)-C-methylcarbonimidoyl]-3,4-dihydro-1H-isoquinolin-5-yl]methanesulfonamide Traditional Name: N-[2-[N-[2-cyano-4,5-dimethoxy-3-(2-pyridyl)phenyl]-C-methyl-carbonimidoyl]-3,4-dihydro-1H-isoquinolin-5-yl]methanesulfonamide Formula: C26H27N5O4S MolecularWeight: 505.58868

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NC1=CC(=C(C(=C1C#N)C2=CC=CC=N2)OC)OC)N3CCC4=C(C3)C=CC=C4NS(=O)(=O)C

Isomeric SMILES

CC(=NC1=CC(=C(C(=C1C#N)C2=CC=CC=N2)OC)OC)N3CCC4=C(C3)C=CC=C4NS(=O)(=O)C

InChI

InChI=1S/C26H27N5O4S/c1-17(31-13-11-19-18(16-31)8-7-10-21(19)30-36(4,32)33)29-23-14-24(34-2)26(35-3)25(20(23)15-27)22-9-5-6-12-28-22/h5-10,12,14,30H,11,13,16H2,1-4H3