4-(2-fluoranyl-4-methylsulfonyl-phenyl)-N-[3-(trifluoromethyl)phenyl]-1,4-diazepane-1-carboxamide

Systemtic Name: 4-(2-fluoranyl-4-methylsulfonyl-phenyl)-N-[3-(trifluoromethyl)phenyl]-1,4-diazepane-1-carboxamide Openeye Name: 4-(2-fluoro-4-methylsulfonyl-phenyl)-N-[3-(trifluoromethyl)phenyl]-1,4-diazepane-1-carboxamide CAS Name: 4-(2-fluoro-4-methylsulfonylphenyl)-N-[3-(trifluoromethyl)phenyl]-1,4-diazepane-1-carboxamide IUPAC Name: 4-(2-fluoro-4-methylsulfonylphenyl)-N-[3-(trifluoromethyl)phenyl]-1,4-diazepane-1-carboxamide Traditional Name: 4-(2-fluoro-4-mesyl-phenyl)-N-[3-(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(=C3)C(F)(F)F)F

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)N2CCCN(CC2)C(=O)NC3=CC=CC(=C3)C(F)(F)F)F

InChI

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