4-[[2-(1,3-benzodioxol-5-yl)-2-(dimethylamino)ethyl]sulfamoyl]benzoic acid

Systemtic Name: 4-[[2-(1,3-benzodioxol-5-yl)-2-(dimethylamino)ethyl]sulfamoyl]benzoic acid Openeye Name: 4-[[2-(1,3-benzodioxol-5-yl)-2-(dimethylamino)ethyl]sulfamoyl]benzoic acid CAS Name: 4-[[2-(1,3-benzodioxol-5-yl)-2-(dimethylamino)ethyl]sulfamoyl]benzoic acid IUPAC Name: 4-[[2-(1,3-benzodioxol-5-yl)-2-(dimethylamino)ethyl]sulfamoyl]benzoic acid Traditional Name: 4-[[2-(1,3-benzodioxol-5-yl)-2-(dimethylamino)ethyl]sulfamoyl]benzoic acid Formula: C18H20N2O6S MolecularWeight: 392.4262

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(CNS(=O)(=O)C1=CC=C(C=C1)C(=O)O)C2=CC3=C(C=C2)OCO3

Isomeric SMILES

CN(C)C(CNS(=O)(=O)C1=CC=C(C=C1)C(=O)O)C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C18H20N2O6S/c1-20(2)15(13-5-8-16-17(9-13)26-11-25-16)10-19-27(23,24)14-6-3-12(4-7-14)18(21)22/h3-9,15,19H,10-11H2,1-2H3,(H,21,22)