N-(4-azanylcyclohexyl)-1-[3,5-bis(fluoranyl)phenyl]carbonyl-3-methylsulfonyl-1,3-diazinane-2-carboxamide

Systemtic Name: N-(4-azanylcyclohexyl)-1-[3,5-bis(fluoranyl)phenyl]carbonyl-3-methylsulfonyl-1,3-diazinane-2-carboxamide Openeye Name: N-(4-aminocyclohexyl)-1-(3,5-difluorobenzoyl)-3-methylsulfonyl-hexahydropyrimidine-2-carboxamide CAS Name: N-(4-aminocyclohexyl)-1-[(3,5-difluorophenyl)-oxomethyl]-3-methylsulfonyl-1,3-diazinane-2-carboxamide IUPAC Name: N-(4-aminocyclohexyl)-1-(3,5-difluorobenzoyl)-3-methylsulfonyl-1,3-diazinane-2-carboxamide Traditional Name: N-(4-aminocyclohexyl)-1-(3,5-difluorobenzoyl)-3-mesyl-hexahydropyrimidine-2-carboxamide Formula: C19H26F2N4O4S MolecularWeight: 444.495946

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCCN(C1C(=O)NC2CCC(CC2)N)C(=O)C3=CC(=CC(=C3)F)F

Isomeric SMILES

CS(=O)(=O)N1CCCN(C1C(=O)NC2CCC(CC2)N)C(=O)C3=CC(=CC(=C3)F)F

InChI

InChI=1S/C19H26F2N4O4S/c1-30(28,29)25-8-2-7-24(19(27)12-9-13(20)11-14(21)10-12)18(25)17(26)23-16-5-3-15(22)4-6-16/h9-11,15-16,18H,2-8,22H2,1H3,(H,23,26)