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

Systemtic Name: N-(4-azanylcyclohexyl)-1-(4-fluorophenyl)sulfonyl-3-methylsulfonyl-1,3-diazinane-2-carboxamide Openeye Name: N-(4-aminocyclohexyl)-1-(4-fluorophenyl)sulfonyl-3-methylsulfonyl-hexahydropyrimidine-2-carboxamide CAS Name: N-(4-aminocyclohexyl)-1-(4-fluorophenyl)sulfonyl-3-methylsulfonyl-1,3-diazinane-2-carboxamide IUPAC Name: N-(4-aminocyclohexyl)-1-(4-fluorophenyl)sulfonyl-3-methylsulfonyl-1,3-diazinane-2-carboxamide Traditional Name: N-(4-aminocyclohexyl)-1-(4-fluorophenyl)sulfonyl-3-mesyl-hexahydropyrimidine-2-carboxamide Formula: C18H27FN4O5S2 MolecularWeight: 462.559183

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H27FN4O5S2/c1-29(25,26)22-11-2-12-23(30(27,28)16-9-3-13(19)4-10-16)18(22)17(24)21-15-7-5-14(20)6-8-15/h3-4,9-10,14-15,18H,2,5-8,11-12,20H2,1H3,(H,21,24)