4-(2-fluoranyl-4-methylsulfonyl-phenyl)-N-[2-(trifluoromethyl)phenyl]-1,4-diazepane-1-carboxamide

Systemtic Name: 4-(2-fluoranyl-4-methylsulfonyl-phenyl)-N-[2-(trifluoromethyl)phenyl]-1,4-diazepane-1-carboxamide Openeye Name: 4-(2-fluoro-4-methylsulfonyl-phenyl)-N-[2-(trifluoromethyl)phenyl]-1,4-diazepane-1-carboxamide CAS Name: 4-(2-fluoro-4-methylsulfonylphenyl)-N-[2-(trifluoromethyl)phenyl]-1,4-diazepane-1-carboxamide IUPAC Name: 4-(2-fluoro-4-methylsulfonylphenyl)-N-[2-(trifluoromethyl)phenyl]-1,4-diazepane-1-carboxamide Traditional Name: 4-(2-fluoro-4-mesyl-phenyl)-N-[2-(trifluoromethyl)phenyl]-1,4-diazepane-1-carboxamide Formula: C20H21F4N3O3S MolecularWeight: 459.457653

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)N2CCCN(CC2)C(=O)NC3=CC=CC=C3C(F)(F)F)F

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)N2CCCN(CC2)C(=O)NC3=CC=CC=C3C(F)(F)F)F

InChI

InChI=1S/C20H21F4N3O3S/c1-31(29,30)14-7-8-18(16(21)13-14)26-9-4-10-27(12-11-26)19(28)25-17-6-3-2-5-15(17)20(22,23)24/h2-3,5-8,13H,4,9-12H2,1H3,(H,25,28)