N-[2-[bis(fluoranyl)methylsulfanyl]phenyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide

Systemtic Name: N-[2-[bis(fluoranyl)methylsulfanyl]phenyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide Openeye Name: N-[2-(difluoromethylsulfanyl)phenyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide CAS Name: N-[2-(difluoromethylthio)phenyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonamide IUPAC Name: N-[2-(difluoromethylsulfanyl)phenyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide Traditional Name: N-[2-(difluoromethylthio)phenyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonamide Formula: C16H15F2NO4S2 MolecularWeight: 387.421406

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)S(=O)(=O)NC3=CC=CC=C3SC(F)F)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)S(=O)(=O)NC3=CC=CC=C3SC(F)F)OC1

InChI

InChI=1S/C16H15F2NO4S2/c17-16(18)24-15-5-2-1-4-12(15)19-25(20,21)11-6-7-13-14(10-11)23-9-3-8-22-13/h1-2,4-7,10,16,19H,3,8-9H2