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

Systemtic Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)butanoic acid Openeye Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)butanoic acid CAS Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)butanoic acid IUPAC Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)butanoic acid Traditional Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)butyric acid Formula: C13H17NO6S MolecularWeight: 315.34218

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)O)NS(=O)(=O)C1=CC2=C(C=C1)OCCCO2

Isomeric SMILES

CCC(C(=O)O)NS(=O)(=O)C1=CC2=C(C=C1)OCCCO2

InChI

InChI=1S/C13H17NO6S/c1-2-10(13(15)16)14-21(17,18)9-4-5-11-12(8-9)20-7-3-6-19-11/h4-5,8,10,14H,2-3,6-7H2,1H3,(H,15,16)