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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H30ClFN4O4S/c1-16-3-5-17(6-4-16)25(33)30-13-2-14-31(36(34,35)20-11-12-22(27)21(26)15-20)24(30)23(32)29-19-9-7-18(28)8-10-19/h3-6,11-12,15,18-19,24H,2,7-10,13-14,28H2,1H3,(H,29,32)