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

Systemtic Name: 4-[[2-(1,3-benzodioxol-5-yl)-2-morpholin-4-yl-ethyl]sulfamoyl]benzoic acid Openeye Name: 4-[[2-(1,3-benzodioxol-5-yl)-2-morpholino-ethyl]sulfamoyl]benzoic acid CAS Name: 4-[[2-(1,3-benzodioxol-5-yl)-2-(4-morpholinyl)ethyl]sulfamoyl]benzoic acid IUPAC Name: 4-[[2-(1,3-benzodioxol-5-yl)-2-morpholin-4-ylethyl]sulfamoyl]benzoic acid Traditional Name: 4-[[2-(1,3-benzodioxol-5-yl)-2-morpholino-ethyl]sulfamoyl]benzoic acid Formula: C20H22N2O7S MolecularWeight: 434.46288

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C(CNS(=O)(=O)C2=CC=C(C=C2)C(=O)O)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1COCCN1C(CNS(=O)(=O)C2=CC=C(C=C2)C(=O)O)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C20H22N2O7S/c23-20(24)14-1-4-16(5-2-14)30(25,26)21-12-17(22-7-9-27-10-8-22)15-3-6-18-19(11-15)29-13-28-18/h1-6,11,17,21H,7-10,12-13H2,(H,23,24)