6-[[4-(3-oxidanidyl-3-oxidanylidene-propyl)phenyl]sulfonylamino]-2,3-dihydro-1,4-benzodioxine-7-carboxylate

Systemtic Name: 6-[[4-(3-oxidanidyl-3-oxidanylidene-propyl)phenyl]sulfonylamino]-2,3-dihydro-1,4-benzodioxine-7-carboxylate Openeye Name: 6-[[4-(3-oxido-3-oxo-propyl)phenyl]sulfonylamino]-2,3-dihydro-1,4-benzodioxine-7-carboxylate CAS Name: 6-[[4-(3-oxido-3-oxopropyl)phenyl]sulfonylamino]-2,3-dihydro-1,4-benzodioxin-7-carboxylate IUPAC Name: 6-[[4-(3-oxido-3-oxopropyl)phenyl]sulfonylamino]-2,3-dihydro-1,4-benzodioxine-7-carboxylate Traditional Name: 6-[[4-(3-keto-3-oxido-propyl)phenyl]sulfonylamino]-2,3-dihydro-1,4-benzodioxin-7-carboxylate Formula: C18H15NO8S-2 MolecularWeight: 405.3786

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=C(C(=C2)NS(=O)(=O)C3=CC=C(C=C3)CCC(=O)[O-])C(=O)[O-]

Isomeric SMILES

C1COC2=C(O1)C=C(C(=C2)NS(=O)(=O)C3=CC=C(C=C3)CCC(=O)[O-])C(=O)[O-]

InChI

InChI=1S/C18H17NO8S/c20-17(21)6-3-11-1-4-12(5-2-11)28(24,25)19-14-10-16-15(26-7-8-27-16)9-13(14)18(22)23/h1-2,4-5,9-10,19H,3,6-8H2,(H,20,21)(H,22,23)/p-2