7-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxylic acid

Systemtic Name: 7-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxylic acid Openeye Name: 7-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxylic acid CAS Name: 7-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-3,4-dihydro-2H-1,5-benzodioxepin-8-carboxylic acid IUPAC Name: 7-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxylic acid Traditional Name: 7-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-3,4-dihydro-2H-1,5-benzodioxepin-8-carboxylic acid Formula: C19H19NO8S MolecularWeight: 421.42106

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)S(=O)(=O)NC3=CC4=C(C=C3C(=O)O)OCCCO4)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)S(=O)(=O)NC3=CC4=C(C=C3C(=O)O)OCCCO4)OC1

InChI

InChI=1S/C19H19NO8S/c21-19(22)13-10-17-18(28-8-2-7-27-17)11-14(13)20-29(23,24)12-3-4-15-16(9-12)26-6-1-5-25-15/h3-4,9-11,20H,1-2,5-8H2,(H,21,22)