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

Systemtic Name: N-[2-[N-(2-cyano-4-ethoxy-5-methoxy-3-pyridin-2-yl-phenyl)-C-methyl-carbonimidoyl]-3,4-dihydro-1H-isoquinolin-5-yl]methanesulfonamide Openeye Name: N-[2-[N-[2-cyano-4-ethoxy-5-methoxy-3-(2-pyridyl)phenyl]-C-methyl-carbonimidoyl]-3,4-dihydro-1H-isoquinolin-5-yl]methanesulfonamide CAS Name: N-[2-[1-[2-cyano-4-ethoxy-5-methoxy-3-(2-pyridinyl)phenyl]iminoethyl]-3,4-dihydro-1H-isoquinolin-5-yl]methanesulfonamide IUPAC Name: N-[2-[N-(2-cyano-4-ethoxy-5-methoxy-3-pyridin-2-ylphenyl)-C-methylcarbonimidoyl]-3,4-dihydro-1H-isoquinolin-5-yl]methanesulfonamide Traditional Name: N-[2-[N-[2-cyano-4-ethoxy-5-methoxy-3-(2-pyridyl)phenyl]-C-methyl-carbonimidoyl]-3,4-dihydro-1H-isoquinolin-5-yl]methanesulfonamide Formula: C27H29N5O4S MolecularWeight: 519.61526

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C(=C1C2=CC=CC=N2)C#N)N=C(C)N3CCC4=C(C3)C=CC=C4NS(=O)(=O)C)OC

Isomeric SMILES

CCOC1=C(C=C(C(=C1C2=CC=CC=N2)C#N)N=C(C)N3CCC4=C(C3)C=CC=C4NS(=O)(=O)C)OC

InChI

InChI=1S/C27H29N5O4S/c1-5-36-27-25(35-3)15-24(21(16-28)26(27)23-10-6-7-13-29-23)30-18(2)32-14-12-20-19(17-32)9-8-11-22(20)31-37(4,33)34/h6-11,13,15,31H,5,12,14,17H2,1-4H3