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

Systemtic Name: N-[2-[N-(2-cyano-3-iodanyl-4,5-dimethoxy-phenyl)-C-methyl-carbonimidoyl]-3,4-dihydro-1H-isoquinolin-5-yl]methanesulfonamide Openeye Name: N-[2-[N-(2-cyano-3-iodo-4,5-dimethoxy-phenyl)-C-methyl-carbonimidoyl]-3,4-dihydro-1H-isoquinolin-5-yl]methanesulfonamide CAS Name: N-[2-[1-(2-cyano-3-iodo-4,5-dimethoxyphenyl)iminoethyl]-3,4-dihydro-1H-isoquinolin-5-yl]methanesulfonamide IUPAC Name: N-[2-[N-(2-cyano-3-iodo-4,5-dimethoxyphenyl)-C-methylcarbonimidoyl]-3,4-dihydro-1H-isoquinolin-5-yl]methanesulfonamide Traditional Name: N-[2-[N-(2-cyano-3-iodo-4,5-dimethoxy-phenyl)-C-methyl-carbonimidoyl]-3,4-dihydro-1H-isoquinolin-5-yl]methanesulfonamide Formula: C21H23IN4O4S MolecularWeight: 554.40119

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NC1=CC(=C(C(=C1C#N)I)OC)OC)N2CCC3=C(C2)C=CC=C3NS(=O)(=O)C

Isomeric SMILES

CC(=NC1=CC(=C(C(=C1C#N)I)OC)OC)N2CCC3=C(C2)C=CC=C3NS(=O)(=O)C

InChI

InChI=1S/C21H23IN4O4S/c1-13(24-18-10-19(29-2)21(30-3)20(22)16(18)11-23)26-9-8-15-14(12-26)6-5-7-17(15)25-31(4,27)28/h5-7,10,25H,8-9,12H2,1-4H3