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

Systemtic Name: N-(4-azanylcyclohexyl)-1-(5-chloranylthiophen-2-yl)sulfonyl-3-(4-fluorophenyl)carbonyl-1,3-diazinane-2-carboxamide Openeye Name: N-(4-aminocyclohexyl)-1-[(5-chloro-2-thienyl)sulfonyl]-3-(4-fluorobenzoyl)hexahydropyrimidine-2-carboxamide CAS Name: N-(4-aminocyclohexyl)-1-[(5-chloro-2-thiophenyl)sulfonyl]-3-[(4-fluorophenyl)-oxomethyl]-1,3-diazinane-2-carboxamide IUPAC Name: N-(4-aminocyclohexyl)-1-(5-chlorothiophen-2-yl)sulfonyl-3-(4-fluorobenzoyl)-1,3-diazinane-2-carboxamide Traditional Name: N-(4-aminocyclohexyl)-1-[(5-chloro-2-thienyl)sulfonyl]-3-(4-fluorobenzoyl)hexahydropyrimidine-2-carboxamide Formula: C22H26ClFN4O4S2 MolecularWeight: 529.047643

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

InChI

InChI=1S/C22H26ClFN4O4S2/c23-18-10-11-19(33-18)34(31,32)28-13-1-12-27(22(30)14-2-4-15(24)5-3-14)21(28)20(29)26-17-8-6-16(25)7-9-17/h2-5,10-11,16-17,21H,1,6-9,12-13,25H2,(H,26,29)