4-[1,3-benzodioxol-5-ylmethyl-[3-(oxidanylamino)-3-oxidanylidene-propyl]sulfamoyl]benzoic acid

Systemtic Name: 4-[1,3-benzodioxol-5-ylmethyl-[3-(oxidanylamino)-3-oxidanylidene-propyl]sulfamoyl]benzoic acid Openeye Name: 4-[1,3-benzodioxol-5-ylmethyl-[3-(hydroxyamino)-3-oxo-propyl]sulfamoyl]benzoic acid CAS Name: 4-[1,3-benzodioxol-5-ylmethyl-[3-(hydroxyamino)-3-oxopropyl]sulfamoyl]benzoic acid IUPAC Name: 4-[1,3-benzodioxol-5-ylmethyl-[3-(hydroxyamino)-3-oxopropyl]sulfamoyl]benzoic acid Traditional Name: 4-[[3-(hydroxyamino)-3-keto-propyl]-piperonyl-sulfamoyl]benzoic acid Formula: C18H18N2O8S MolecularWeight: 422.40912

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CN(CCC(=O)NO)S(=O)(=O)C3=CC=C(C=C3)C(=O)O

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CN(CCC(=O)NO)S(=O)(=O)C3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C18H18N2O8S/c21-17(19-24)7-8-20(10-12-1-6-15-16(9-12)28-11-27-15)29(25,26)14-4-2-13(3-5-14)18(22)23/h1-6,9,24H,7-8,10-11H2,(H,19,21)(H,22,23)