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

Systemtic Name: 3-[1,3-benzodioxol-5-ylmethyl-[3-(oxidanylamino)-3-oxidanylidene-propyl]sulfamoyl]benzoic acid Openeye Name: 3-[1,3-benzodioxol-5-ylmethyl-[3-(hydroxyamino)-3-oxo-propyl]sulfamoyl]benzoic acid CAS Name: 3-[1,3-benzodioxol-5-ylmethyl-[3-(hydroxyamino)-3-oxopropyl]sulfamoyl]benzoic acid IUPAC Name: 3-[1,3-benzodioxol-5-ylmethyl-[3-(hydroxyamino)-3-oxopropyl]sulfamoyl]benzoic acid Traditional Name: 3-[[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=CC(=C3)C(=O)O

Isomeric SMILES

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

InChI

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