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

Systemtic Name: N-[2-[N-(2-cyano-4-ethoxy-3-iodanyl-5-methoxy-phenyl)-C-methyl-carbonimidoyl]-3,4-dihydro-1H-isoquinolin-5-yl]methanesulfonamide Openeye Name: N-[2-[N-(2-cyano-4-ethoxy-3-iodo-5-methoxy-phenyl)-C-methyl-carbonimidoyl]-3,4-dihydro-1H-isoquinolin-5-yl]methanesulfonamide CAS Name: N-[2-[1-(2-cyano-4-ethoxy-3-iodo-5-methoxyphenyl)iminoethyl]-3,4-dihydro-1H-isoquinolin-5-yl]methanesulfonamide IUPAC Name: N-[2-[N-(2-cyano-4-ethoxy-3-iodo-5-methoxyphenyl)-C-methylcarbonimidoyl]-3,4-dihydro-1H-isoquinolin-5-yl]methanesulfonamide Traditional Name: N-[2-[N-(2-cyano-4-ethoxy-3-iodo-5-methoxy-phenyl)-C-methyl-carbonimidoyl]-3,4-dihydro-1H-isoquinolin-5-yl]methanesulfonamide Formula: C22H25IN4O4S MolecularWeight: 568.42777

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C(=C1I)C#N)N=C(C)N2CCC3=C(C2)C=CC=C3NS(=O)(=O)C)OC

Isomeric SMILES

CCOC1=C(C=C(C(=C1I)C#N)N=C(C)N2CCC3=C(C2)C=CC=C3NS(=O)(=O)C)OC

InChI

InChI=1S/C22H25IN4O4S/c1-5-31-22-20(30-3)11-19(17(12-24)21(22)23)25-14(2)27-10-9-16-15(13-27)7-6-8-18(16)26-32(4,28)29/h6-8,11,26H,5,9-10,13H2,1-4H3