N-(4-azanylcyclohexyl)-1-[3,5-bis(fluoranyl)phenyl]carbonyl-3-thiophen-2-ylsulfonyl-1,3-diazinane-2-carboxamide

Systemtic Name: N-(4-azanylcyclohexyl)-1-[3,5-bis(fluoranyl)phenyl]carbonyl-3-thiophen-2-ylsulfonyl-1,3-diazinane-2-carboxamide Openeye Name: N-(4-aminocyclohexyl)-1-(3,5-difluorobenzoyl)-3-(2-thienylsulfonyl)hexahydropyrimidine-2-carboxamide CAS Name: N-(4-aminocyclohexyl)-1-[(3,5-difluorophenyl)-oxomethyl]-3-thiophen-2-ylsulfonyl-1,3-diazinane-2-carboxamide IUPAC Name: N-(4-aminocyclohexyl)-1-(3,5-difluorobenzoyl)-3-thiophen-2-ylsulfonyl-1,3-diazinane-2-carboxamide Traditional Name: N-(4-aminocyclohexyl)-1-(3,5-difluorobenzoyl)-3-(2-thienylsulfonyl)hexahydropyrimidine-2-carboxamide Formula: C22H26F2N4O4S2 MolecularWeight: 512.593046

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(N(C1)S(=O)(=O)C2=CC=CS2)C(=O)NC3CCC(CC3)N)C(=O)C4=CC(=CC(=C4)F)F

Isomeric SMILES

C1CN(C(N(C1)S(=O)(=O)C2=CC=CS2)C(=O)NC3CCC(CC3)N)C(=O)C4=CC(=CC(=C4)F)F

InChI

InChI=1S/C22H26F2N4O4S2/c23-15-11-14(12-16(24)13-15)22(30)27-8-2-9-28(34(31,32)19-3-1-10-33-19)21(27)20(29)26-18-6-4-17(25)5-7-18/h1,3,10-13,17-18,21H,2,4-9,25H2,(H,26,29)