2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-3-methyl-N-[4-(trifluoromethyloxy)phenyl]butanamide

Systemtic Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-3-methyl-N-[4-(trifluoromethyloxy)phenyl]butanamide Openeye Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-3-methyl-N-[4-(trifluoromethoxy)phenyl]butanamide CAS Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-3-methyl-N-[4-(trifluoromethoxy)phenyl]butanamide IUPAC Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-3-methyl-N-[4-(trifluoromethoxy)phenyl]butanamide Traditional Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-3-methyl-N-[4-(trifluoromethoxy)phenyl]butyramide Formula: C21H23F3N2O6S MolecularWeight: 488.47733

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC1=CC=C(C=C1)OC(F)(F)F)NS(=O)(=O)C2=CC3=C(C=C2)OCCCO3

Isomeric SMILES

CC(C)C(C(=O)NC1=CC=C(C=C1)OC(F)(F)F)NS(=O)(=O)C2=CC3=C(C=C2)OCCCO3

InChI

InChI=1S/C21H23F3N2O6S/c1-13(2)19(20(27)25-14-4-6-15(7-5-14)32-21(22,23)24)26-33(28,29)16-8-9-17-18(12-16)31-11-3-10-30-17/h4-9,12-13,19,26H,3,10-11H2,1-2H3,(H,25,27)