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

Systemtic Name: N2-(4-azanylcyclohexyl)-N1-ethyl-3-(4-fluorophenyl)sulfonyl-1,3-diazinane-1,2-dicarboxamide Openeye Name: N2-(4-aminocyclohexyl)-N1-ethyl-3-(4-fluorophenyl)sulfonyl-hexahydropyrimidine-1,2-dicarboxamide CAS Name: N2-(4-aminocyclohexyl)-N1-ethyl-3-(4-fluorophenyl)sulfonyl-1,3-diazinane-1,2-dicarboxamide IUPAC Name: 2-N-(4-aminocyclohexyl)-1-N-ethyl-3-(4-fluorophenyl)sulfonyl-1,3-diazinane-1,2-dicarboxamide Traditional Name: N'-(4-aminocyclohexyl)-N-ethyl-3-(4-fluorophenyl)sulfonyl-hexahydropyrimidine-1,2-dicarboxamide Formula: C20H30FN5O4S MolecularWeight: 455.546703

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H30FN5O4S/c1-2-23-20(28)25-12-3-13-26(31(29,30)17-10-4-14(21)5-11-17)19(25)18(27)24-16-8-6-15(22)7-9-16/h4-5,10-11,15-16,19H,2-3,6-9,12-13,22H2,1H3,(H,23,28)(H,24,27)