N-(4-azanylcyclohexyl)-1-(3-chloranyl-4-fluoranyl-phenyl)sulfonyl-3-thiophen-2-ylsulfonyl-1,3-diazinane-2-carboxamide

Systemtic Name: N-(4-azanylcyclohexyl)-1-(3-chloranyl-4-fluoranyl-phenyl)sulfonyl-3-thiophen-2-ylsulfonyl-1,3-diazinane-2-carboxamide Openeye Name: N-(4-aminocyclohexyl)-1-(3-chloro-4-fluoro-phenyl)sulfonyl-3-(2-thienylsulfonyl)hexahydropyrimidine-2-carboxamide CAS Name: N-(4-aminocyclohexyl)-1-(3-chloro-4-fluorophenyl)sulfonyl-3-thiophen-2-ylsulfonyl-1,3-diazinane-2-carboxamide IUPAC Name: N-(4-aminocyclohexyl)-1-(3-chloro-4-fluorophenyl)sulfonyl-3-thiophen-2-ylsulfonyl-1,3-diazinane-2-carboxamide Traditional Name: N-(4-aminocyclohexyl)-1-(3-chloro-4-fluoro-phenyl)sulfonyl-3-(2-thienylsulfonyl)hexahydropyrimidine-2-carboxamide Formula: C21H26ClFN4O5S3 MolecularWeight: 565.101343

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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)S(=O)(=O)C4=CC(=C(C=C4)F)Cl

Isomeric SMILES

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

InChI

InChI=1S/C21H26ClFN4O5S3/c22-17-13-16(8-9-18(17)23)34(29,30)26-10-2-11-27(35(31,32)19-3-1-12-33-19)21(26)20(28)25-15-6-4-14(24)5-7-15/h1,3,8-9,12-15,21H,2,4-7,10-11,24H2,(H,25,28)