N-[4-bromanyl-3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide

Systemtic Name: N-[4-bromanyl-3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide Openeye Name: N-[4-bromo-3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide CAS Name: N-[4-bromo-3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonamide IUPAC Name: N-[4-bromo-3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide Traditional Name: N-[4-bromo-3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonamide Formula: C16H13BrF3NO4S MolecularWeight: 452.24293

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)S(=O)(=O)NC3=CC(=C(C=C3)Br)C(F)(F)F)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)S(=O)(=O)NC3=CC(=C(C=C3)Br)C(F)(F)F)OC1

InChI

InChI=1S/C16H13BrF3NO4S/c17-13-4-2-10(8-12(13)16(18,19)20)21-26(22,23)11-3-5-14-15(9-11)25-7-1-6-24-14/h2-5,8-9,21H,1,6-7H2