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

Systemtic Name: N-(4-azanylcyclohexyl)-1-(5-chloranylthiophen-2-yl)sulfonyl-3-(3-fluorophenyl)carbonyl-1,3-diazinane-2-carboxamide Openeye Name: N-(4-aminocyclohexyl)-1-[(5-chloro-2-thienyl)sulfonyl]-3-(3-fluorobenzoyl)hexahydropyrimidine-2-carboxamide CAS Name: N-(4-aminocyclohexyl)-1-[(5-chloro-2-thiophenyl)sulfonyl]-3-[(3-fluorophenyl)-oxomethyl]-1,3-diazinane-2-carboxamide IUPAC Name: N-(4-aminocyclohexyl)-1-(5-chlorothiophen-2-yl)sulfonyl-3-(3-fluorobenzoyl)-1,3-diazinane-2-carboxamide Traditional Name: N-(4-aminocyclohexyl)-1-[(5-chloro-2-thienyl)sulfonyl]-3-(3-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(=CC=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(=CC=C4)F

InChI

InChI=1S/C22H26ClFN4O4S2/c23-18-9-10-19(33-18)34(31,32)28-12-2-11-27(22(30)14-3-1-4-15(24)13-14)21(28)20(29)26-17-7-5-16(25)6-8-17/h1,3-4,9-10,13,16-17,21H,2,5-8,11-12,25H2,(H,26,29)