N-(4-azanylcyclohexyl)-1-(3-fluorophenyl)carbonyl-3-methylsulfonyl-1,3-diazinane-2-carboxamide

Systemtic Name: N-(4-azanylcyclohexyl)-1-(3-fluorophenyl)carbonyl-3-methylsulfonyl-1,3-diazinane-2-carboxamide Openeye Name: N-(4-aminocyclohexyl)-1-(3-fluorobenzoyl)-3-methylsulfonyl-hexahydropyrimidine-2-carboxamide CAS Name: N-(4-aminocyclohexyl)-1-[(3-fluorophenyl)-oxomethyl]-3-methylsulfonyl-1,3-diazinane-2-carboxamide IUPAC Name: N-(4-aminocyclohexyl)-1-(3-fluorobenzoyl)-3-methylsulfonyl-1,3-diazinane-2-carboxamide Traditional Name: N-(4-aminocyclohexyl)-1-(3-fluorobenzoyl)-3-mesyl-hexahydropyrimidine-2-carboxamide Formula: C19H27FN4O4S MolecularWeight: 426.505483

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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

Isomeric SMILES

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

InChI

InChI=1S/C19H27FN4O4S/c1-29(27,28)24-11-3-10-23(19(26)13-4-2-5-14(20)12-13)18(24)17(25)22-16-8-6-15(21)7-9-16/h2,4-5,12,15-16,18H,3,6-11,21H2,1H3,(H,22,25)