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

Systemtic Name: N-(4-azanylcyclohexyl)-1-(4-fluorophenyl)carbonyl-3-methylsulfonyl-1,3-diazinane-2-carboxamide Openeye Name: N-(4-aminocyclohexyl)-1-(4-fluorobenzoyl)-3-methylsulfonyl-hexahydropyrimidine-2-carboxamide CAS Name: N-(4-aminocyclohexyl)-1-[(4-fluorophenyl)-oxomethyl]-3-methylsulfonyl-1,3-diazinane-2-carboxamide IUPAC Name: N-(4-aminocyclohexyl)-1-(4-fluorobenzoyl)-3-methylsulfonyl-1,3-diazinane-2-carboxamide Traditional Name: N-(4-aminocyclohexyl)-1-(4-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=C(C=C3)F

Isomeric SMILES

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

InChI

InChI=1S/C19H27FN4O4S/c1-29(27,28)24-12-2-11-23(19(26)13-3-5-14(20)6-4-13)18(24)17(25)22-16-9-7-15(21)8-10-16/h3-6,15-16,18H,2,7-12,21H2,1H3,(H,22,25)