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

Systemtic Name: N-[2-[N-(2-cyano-5-methoxy-4-pyridin-2-yl-phenyl)-C-methyl-carbonimidoyl]-3,4-dihydro-1H-isoquinolin-5-yl]methanesulfonamide Openeye Name: N-[2-[N-[2-cyano-5-methoxy-4-(2-pyridyl)phenyl]-C-methyl-carbonimidoyl]-3,4-dihydro-1H-isoquinolin-5-yl]methanesulfonamide CAS Name: N-[2-[1-[2-cyano-5-methoxy-4-(2-pyridinyl)phenyl]iminoethyl]-3,4-dihydro-1H-isoquinolin-5-yl]methanesulfonamide IUPAC Name: N-[2-[N-(2-cyano-5-methoxy-4-pyridin-2-ylphenyl)-C-methylcarbonimidoyl]-3,4-dihydro-1H-isoquinolin-5-yl]methanesulfonamide Traditional Name: N-[2-[N-[2-cyano-5-methoxy-4-(2-pyridyl)phenyl]-C-methyl-carbonimidoyl]-3,4-dihydro-1H-isoquinolin-5-yl]methanesulfonamide Formula: C25H25N5O3S MolecularWeight: 475.5627

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H25N5O3S/c1-17(30-12-10-20-18(16-30)7-6-9-23(20)29-34(3,31)32)28-24-14-25(33-2)21(13-19(24)15-26)22-8-4-5-11-27-22/h4-9,11,13-14,29H,10,12,16H2,1-3H3