3-(azepan-1-ylsulfonyl)-2,6-bis(fluoranyl)benzoate

Systemtic Name: 3-(azepan-1-ylsulfonyl)-2,6-bis(fluoranyl)benzoate Openeye Name: 3-(azepan-1-ylsulfonyl)-2,6-difluoro-benzoate CAS Name: 3-(1-azepanylsulfonyl)-2,6-difluorobenzoate IUPAC Name: 3-(azepan-1-ylsulfonyl)-2,6-difluorobenzoate Traditional Name: 3-(azepan-1-ylsulfonyl)-2,6-difluoro-benzoate Formula: C13H14F2NO4S- MolecularWeight: 318.316366

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=C(C(=C(C=C2)F)C(=O)[O-])F

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=C(C(=C(C=C2)F)C(=O)[O-])F

InChI

InChI=1S/C13H15F2NO4S/c14-9-5-6-10(12(15)11(9)13(17)18)21(19,20)16-7-3-1-2-4-8-16/h5-6H,1-4,7-8H2,(H,17,18)/p-1