N2-(4-azanylcyclohexyl)-N1-(3-fluorophenyl)-3-methylsulfonyl-1,3-diazinane-1,2-dicarboxamide

Systemtic Name: N2-(4-azanylcyclohexyl)-N1-(3-fluorophenyl)-3-methylsulfonyl-1,3-diazinane-1,2-dicarboxamide Openeye Name: N2-(4-aminocyclohexyl)-N1-(3-fluorophenyl)-3-methylsulfonyl-hexahydropyrimidine-1,2-dicarboxamide CAS Name: N2-(4-aminocyclohexyl)-N1-(3-fluorophenyl)-3-methylsulfonyl-1,3-diazinane-1,2-dicarboxamide IUPAC Name: 2-N-(4-aminocyclohexyl)-1-N-(3-fluorophenyl)-3-methylsulfonyl-1,3-diazinane-1,2-dicarboxamide Traditional Name: N'-(4-aminocyclohexyl)-N-(3-fluorophenyl)-3-mesyl-hexahydropyrimidine-1,2-dicarboxamide Formula: C19H28FN5O4S MolecularWeight: 441.520123

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCCN(C1C(=O)NC2CCC(CC2)N)C(=O)NC3=CC(=CC=C3)F

Isomeric SMILES

CS(=O)(=O)N1CCCN(C1C(=O)NC2CCC(CC2)N)C(=O)NC3=CC(=CC=C3)F

InChI

InChI=1S/C19H28FN5O4S/c1-30(28,29)25-11-3-10-24(19(27)23-16-5-2-4-13(20)12-16)18(25)17(26)22-15-8-6-14(21)7-9-15/h2,4-5,12,14-15,18H,3,6-11,21H2,1H3,(H,22,26)(H,23,27)