5-methylsulfonyl-N-[2-(trifluoromethyl)phenyl]-3,4-dihydro-2H-1,5-benzoxazepine-2-carboxamide

Systemtic Name: 5-methylsulfonyl-N-[2-(trifluoromethyl)phenyl]-3,4-dihydro-2H-1,5-benzoxazepine-2-carboxamide Openeye Name: 5-methylsulfonyl-N-[2-(trifluoromethyl)phenyl]-3,4-dihydro-2H-1,5-benzoxazepine-2-carboxamide CAS Name: 5-methylsulfonyl-N-[2-(trifluoromethyl)phenyl]-3,4-dihydro-2H-1,5-benzoxazepine-2-carboxamide IUPAC Name: 5-methylsulfonyl-N-[2-(trifluoromethyl)phenyl]-3,4-dihydro-2H-1,5-benzoxazepine-2-carboxamide Traditional Name: 5-mesyl-N-[2-(trifluoromethyl)phenyl]-3,4-dihydro-2H-1,5-benzoxazepine-2-carboxamide Formula: C18H17F3N2O4S MolecularWeight: 414.39879

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCC(OC2=CC=CC=C21)C(=O)NC3=CC=CC=C3C(F)(F)F

Isomeric SMILES

CS(=O)(=O)N1CCC(OC2=CC=CC=C21)C(=O)NC3=CC=CC=C3C(F)(F)F

InChI

InChI=1S/C18H17F3N2O4S/c1-28(25,26)23-11-10-16(27-15-9-5-4-8-14(15)23)17(24)22-13-7-3-2-6-12(13)18(19,20)21/h2-9,16H,10-11H2,1H3,(H,22,24)