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

Systemtic Name: N-(4-azanylcyclohexyl)-1-(3-chloranyl-4-fluoranyl-phenyl)sulfonyl-3-(3-methoxyphenyl)carbonyl-1,3-diazinane-2-carboxamide Openeye Name: N-(4-aminocyclohexyl)-1-(3-chloro-4-fluoro-phenyl)sulfonyl-3-(3-methoxybenzoyl)hexahydropyrimidine-2-carboxamide CAS Name: N-(4-aminocyclohexyl)-1-(3-chloro-4-fluorophenyl)sulfonyl-3-[(3-methoxyphenyl)-oxomethyl]-1,3-diazinane-2-carboxamide IUPAC Name: N-(4-aminocyclohexyl)-1-(3-chloro-4-fluorophenyl)sulfonyl-3-(3-methoxybenzoyl)-1,3-diazinane-2-carboxamide Traditional Name: N-(4-aminocyclohexyl)-1-(3-chloro-4-fluoro-phenyl)sulfonyl-3-m-anisoyl-hexahydropyrimidine-2-carboxamide Formula: C25H30ClFN4O5S MolecularWeight: 553.045903

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(=O)N2CCCN(C2C(=O)NC3CCC(CC3)N)S(=O)(=O)C4=CC(=C(C=C4)F)Cl

Isomeric SMILES

COC1=CC=CC(=C1)C(=O)N2CCCN(C2C(=O)NC3CCC(CC3)N)S(=O)(=O)C4=CC(=C(C=C4)F)Cl

InChI

InChI=1S/C25H30ClFN4O5S/c1-36-19-5-2-4-16(14-19)25(33)30-12-3-13-31(37(34,35)20-10-11-22(27)21(26)15-20)24(30)23(32)29-18-8-6-17(28)7-9-18/h2,4-5,10-11,14-15,17-18,24H,3,6-9,12-13,28H2,1H3,(H,29,32)