(1R,2R)-N-(1-cyanocyclopropyl)-2-[(6-methylsulfonyl-3,4-dihydro-1H-isoquinolin-2-yl)carbonyl]cyclohexane-1-carboxamide

Systemtic Name: (1R,2R)-N-(1-cyanocyclopropyl)-2-[(6-methylsulfonyl-3,4-dihydro-1H-isoquinolin-2-yl)carbonyl]cyclohexane-1-carboxamide Openeye Name: (1R,2R)-N-(1-cyanocyclopropyl)-2-(6-methylsulfonyl-3,4-dihydro-1H-isoquinoline-2-carbonyl)cyclohexanecarboxamide CAS Name: (1R,2R)-N-(1-cyanocyclopropyl)-2-[(6-methylsulfonyl-3,4-dihydro-1H-isoquinolin-2-yl)-oxomethyl]-1-cyclohexanecarboxamide IUPAC Name: (1R,2R)-N-(1-cyanocyclopropyl)-2-(6-methylsulfonyl-3,4-dihydro-1H-isoquinoline-2-carbonyl)cyclohexane-1-carboxamide Traditional Name: (1R,2R)-N-(1-cyanocyclopropyl)-2-(6-mesyl-3,4-dihydro-1H-isoquinoline-2-carbonyl)cyclohexanecarboxamide Formula: C22H27N3O4S MolecularWeight: 429.53248

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC2=C(CN(CC2)C(=O)C3CCCCC3C(=O)NC4(CC4)C#N)C=C1

Isomeric SMILES

CS(=O)(=O)C1=CC2=C(CN(CC2)C(=O)[C@@H]3CCCC[C@H]3C(=O)NC4(CC4)C#N)C=C1

InChI

InChI=1S/C22H27N3O4S/c1-30(28,29)17-7-6-16-13-25(11-8-15(16)12-17)21(27)19-5-3-2-4-18(19)20(26)24-22(14-23)9-10-22/h6-7,12,18-19H,2-5,8-11,13H2,1H3,(H,24,26)/t18-,19-/m1/s1