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

Systemtic Name: 4-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)ethyl]benzoic acid Openeye Name: 4-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)ethyl]benzoic acid CAS Name: 4-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)ethyl]benzoic acid IUPAC Name: 4-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)ethyl]benzoic acid Traditional Name: 4-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)ethyl]benzoic acid Formula: C18H19NO6S MolecularWeight: 377.41156

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)S(=O)(=O)NCCC3=CC=C(C=C3)C(=O)O)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)S(=O)(=O)NCCC3=CC=C(C=C3)C(=O)O)OC1

InChI

InChI=1S/C18H19NO6S/c20-18(21)14-4-2-13(3-5-14)8-9-19-26(22,23)15-6-7-16-17(12-15)25-11-1-10-24-16/h2-7,12,19H,1,8-11H2,(H,20,21)