N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3,5-bis(trifluoromethyl)benzenesulfonamide

Systemtic Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3,5-bis(trifluoromethyl)benzenesulfonamide Openeye Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3,5-bis(trifluoromethyl)benzenesulfonamide CAS Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3,5-bis(trifluoromethyl)benzenesulfonamide IUPAC Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3,5-bis(trifluoromethyl)benzenesulfonamide Traditional Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3,5-bis(trifluoromethyl)benzenesulfonamide Formula: C17H13F6NO4S MolecularWeight: 441.344839

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)NS(=O)(=O)C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)NS(=O)(=O)C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)OC1

InChI

InChI=1S/C17H13F6NO4S/c18-16(19,20)10-6-11(17(21,22)23)8-13(7-10)29(25,26)24-12-2-3-14-15(9-12)28-5-1-4-27-14/h2-3,6-9,24H,1,4-5H2