N-(4-azanylcyclohexyl)-1-(5-chloranylthiophen-2-yl)sulfonyl-3-(4-fluorophenyl)sulfonyl-1,3-diazinane-2-carboxamide

Systemtic Name: N-(4-azanylcyclohexyl)-1-(5-chloranylthiophen-2-yl)sulfonyl-3-(4-fluorophenyl)sulfonyl-1,3-diazinane-2-carboxamide Openeye Name: N-(4-aminocyclohexyl)-1-[(5-chloro-2-thienyl)sulfonyl]-3-(4-fluorophenyl)sulfonyl-hexahydropyrimidine-2-carboxamide CAS Name: N-(4-aminocyclohexyl)-1-[(5-chloro-2-thiophenyl)sulfonyl]-3-(4-fluorophenyl)sulfonyl-1,3-diazinane-2-carboxamide IUPAC Name: N-(4-aminocyclohexyl)-1-(5-chlorothiophen-2-yl)sulfonyl-3-(4-fluorophenyl)sulfonyl-1,3-diazinane-2-carboxamide Traditional Name: N-(4-aminocyclohexyl)-1-[(5-chloro-2-thienyl)sulfonyl]-3-(4-fluorophenyl)sulfonyl-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=C(S2)Cl)C(=O)NC3CCC(CC3)N)S(=O)(=O)C4=CC=C(C=C4)F

Isomeric SMILES

C1CN(C(N(C1)S(=O)(=O)C2=CC=C(S2)Cl)C(=O)NC3CCC(CC3)N)S(=O)(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C21H26ClFN4O5S3/c22-18-10-11-19(33-18)35(31,32)27-13-1-12-26(34(29,30)17-8-2-14(23)3-9-17)21(27)20(28)25-16-6-4-15(24)5-7-16/h2-3,8-11,15-16,21H,1,4-7,12-13,24H2,(H,25,28)