N-[cyano(phenyl)methyl]-2-(2,5-dimethoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide

Systemtic Name: N-[cyano(phenyl)methyl]-2-(2,5-dimethoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: N-[cyano(phenyl)methyl]-2-(2,5-dimethoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: N-[cyano(phenyl)methyl]-2-(2,5-dimethoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: N-[cyano(phenyl)methyl]-2-(2,5-dimethoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: N-[cyano(phenyl)methyl]-2-(2,5-dimethoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C26H25N3O5S MolecularWeight: 491.5588

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)S(=O)(=O)N2CC3=CC=CC=C3CC2C(=O)NC(C#N)C4=CC=CC=C4

Isomeric SMILES

COC1=CC(=C(C=C1)OC)S(=O)(=O)N2CC3=CC=CC=C3CC2C(=O)NC(C#N)C4=CC=CC=C4

InChI

InChI=1S/C26H25N3O5S/c1-33-21-12-13-24(34-2)25(15-21)35(31,32)29-17-20-11-7-6-10-19(20)14-23(29)26(30)28-22(16-27)18-8-4-3-5-9-18/h3-13,15,22-23H,14,17H2,1-2H3,(H,28,30)