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

Systemtic Name: N-(4-azanylcyclohexyl)-1-(3-chloranyl-4-fluoranyl-phenyl)sulfonyl-3-(3-methylphenyl)carbonyl-1,3-diazinane-2-carboxamide Openeye Name: N-(4-aminocyclohexyl)-1-(3-chloro-4-fluoro-phenyl)sulfonyl-3-(3-methylbenzoyl)hexahydropyrimidine-2-carboxamide CAS Name: N-(4-aminocyclohexyl)-1-(3-chloro-4-fluorophenyl)sulfonyl-3-[(3-methylphenyl)-oxomethyl]-1,3-diazinane-2-carboxamide IUPAC Name: N-(4-aminocyclohexyl)-1-(3-chloro-4-fluorophenyl)sulfonyl-3-(3-methylbenzoyl)-1,3-diazinane-2-carboxamide Traditional Name: N-(4-aminocyclohexyl)-1-(3-chloro-4-fluoro-phenyl)sulfonyl-3-m-toluoyl-hexahydropyrimidine-2-carboxamide Formula: C25H30ClFN4O4S MolecularWeight: 537.046503

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)N2CCCN(C2C(=O)NC3CCC(CC3)N)S(=O)(=O)C4=CC(=C(C=C4)F)Cl

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)N2CCCN(C2C(=O)NC3CCC(CC3)N)S(=O)(=O)C4=CC(=C(C=C4)F)Cl

InChI

InChI=1S/C25H30ClFN4O4S/c1-16-4-2-5-17(14-16)25(33)30-12-3-13-31(36(34,35)20-10-11-22(27)21(26)15-20)24(30)23(32)29-19-8-6-18(28)7-9-19/h2,4-5,10-11,14-15,18-19,24H,3,6-9,12-13,28H2,1H3,(H,29,32)