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

Systemtic Name: N-(4-azanylcyclohexyl)-1-(3-chloranyl-4-fluoranyl-phenyl)sulfonyl-3-(phenylmethyl)sulfonyl-1,3-diazinane-2-carboxamide Openeye Name: N-(4-aminocyclohexyl)-1-benzylsulfonyl-3-(3-chloro-4-fluoro-phenyl)sulfonyl-hexahydropyrimidine-2-carboxamide CAS Name: N-(4-aminocyclohexyl)-1-(3-chloro-4-fluorophenyl)sulfonyl-3-(phenylmethyl)sulfonyl-1,3-diazinane-2-carboxamide IUPAC Name: N-(4-aminocyclohexyl)-1-benzylsulfonyl-3-(3-chloro-4-fluorophenyl)sulfonyl-1,3-diazinane-2-carboxamide Traditional Name: N-(4-aminocyclohexyl)-1-benzylsulfonyl-3-(3-chloro-4-fluoro-phenyl)sulfonyl-hexahydropyrimidine-2-carboxamide Formula: C24H30ClFN4O5S2 MolecularWeight: 573.100203

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(N(C1)S(=O)(=O)C2=CC(=C(C=C2)F)Cl)C(=O)NC3CCC(CC3)N)S(=O)(=O)CC4=CC=CC=C4

Isomeric SMILES

C1CN(C(N(C1)S(=O)(=O)C2=CC(=C(C=C2)F)Cl)C(=O)NC3CCC(CC3)N)S(=O)(=O)CC4=CC=CC=C4

InChI

InChI=1S/C24H30ClFN4O5S2/c25-21-15-20(11-12-22(21)26)37(34,35)30-14-4-13-29(36(32,33)16-17-5-2-1-3-6-17)24(30)23(31)28-19-9-7-18(27)8-10-19/h1-3,5-6,11-12,15,18-19,24H,4,7-10,13-14,16,27H2,(H,28,31)