N-[2-[N-(2-cyano-3-cyclobutyloxy-5,6-dimethoxy-phenyl)-C-methyl-carbonimidoyl]-3,4-dihydro-1H-isoquinolin-5-yl]methanesulfonamide

Systemtic Name: N-[2-[N-(2-cyano-3-cyclobutyloxy-5,6-dimethoxy-phenyl)-C-methyl-carbonimidoyl]-3,4-dihydro-1H-isoquinolin-5-yl]methanesulfonamide Openeye Name: N-[2-[N-[2-cyano-3-(cyclobutoxy)-5,6-dimethoxy-phenyl]-C-methyl-carbonimidoyl]-3,4-dihydro-1H-isoquinolin-5-yl]methanesulfonamide CAS Name: N-[2-[1-(2-cyano-3-cyclobutyloxy-5,6-dimethoxyphenyl)iminoethyl]-3,4-dihydro-1H-isoquinolin-5-yl]methanesulfonamide IUPAC Name: N-[2-[N-(2-cyano-3-cyclobutyloxy-5,6-dimethoxyphenyl)-C-methylcarbonimidoyl]-3,4-dihydro-1H-isoquinolin-5-yl]methanesulfonamide Traditional Name: N-[2-[N-[2-cyano-3-(cyclobutoxy)-5,6-dimethoxy-phenyl]-C-methyl-carbonimidoyl]-3,4-dihydro-1H-isoquinolin-5-yl]methanesulfonamide Formula: C25H30N4O5S MolecularWeight: 498.5945

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NC1=C(C(=CC(=C1OC)OC)OC2CCC2)C#N)N3CCC4=C(C3)C=CC=C4NS(=O)(=O)C

Isomeric SMILES

CC(=NC1=C(C(=CC(=C1OC)OC)OC2CCC2)C#N)N3CCC4=C(C3)C=CC=C4NS(=O)(=O)C

InChI

InChI=1S/C25H30N4O5S/c1-16(29-12-11-19-17(15-29)7-5-10-21(19)28-35(4,30)31)27-24-20(14-26)22(34-18-8-6-9-18)13-23(32-2)25(24)33-3/h5,7,10,13,18,28H,6,8-9,11-12,15H2,1-4H3