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

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

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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(=C(C=C4)F)F

Isomeric SMILES

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

InChI

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