1-[4-[bis(fluoranyl)methylsulfonyl]phenyl]-1,4-diazepane

Systemtic Name: 1-[4-[bis(fluoranyl)methylsulfonyl]phenyl]-1,4-diazepane Openeye Name: 1-[4-(difluoromethylsulfonyl)phenyl]-1,4-diazepane CAS Name: 1-[4-(difluoromethylsulfonyl)phenyl]-1,4-diazepane IUPAC Name: 1-[4-(difluoromethylsulfonyl)phenyl]-1,4-diazepane Traditional Name: 1-[4-(difluoromethylsulfonyl)phenyl]-1,4-diazepane Formula: C12H16F2N2O2S MolecularWeight: 290.329446

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCN(C1)C2=CC=C(C=C2)S(=O)(=O)C(F)F

Isomeric SMILES

C1CNCCN(C1)C2=CC=C(C=C2)S(=O)(=O)C(F)F

InChI

InChI=1S/C12H16F2N2O2S/c13-12(14)19(17,18)11-4-2-10(3-5-11)16-8-1-6-15-7-9-16/h2-5,12,15H,1,6-9H2