5-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-2-fluoranyl-benzoic acid

Systemtic Name: 5-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-2-fluoranyl-benzoic acid Openeye Name: 5-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-2-fluoro-benzoic acid CAS Name: 5-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-2-fluorobenzoic acid IUPAC Name: 5-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-2-fluorobenzoic acid Traditional Name: 5-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-2-fluoro-benzoic acid Formula: C16H14FNO6S MolecularWeight: 367.348863

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H14FNO6S/c17-13-4-2-10(8-12(13)16(19)20)18-25(21,22)11-3-5-14-15(9-11)24-7-1-6-23-14/h2-5,8-9,18H,1,6-7H2,(H,19,20)