4-(1,3-benzodioxol-5-yloxy)-3-(2,5-dimethylpyrrolidin-1-yl)-5-sulfamoyl-benzoic acid

Systemtic Name: 4-(1,3-benzodioxol-5-yloxy)-3-(2,5-dimethylpyrrolidin-1-yl)-5-sulfamoyl-benzoic acid Openeye Name: 4-(1,3-benzodioxol-5-yloxy)-3-(2,5-dimethylpyrrolidin-1-yl)-5-sulfamoyl-benzoic acid CAS Name: 4-(1,3-benzodioxol-5-yloxy)-3-(2,5-dimethyl-1-pyrrolidinyl)-5-sulfamoylbenzoic acid IUPAC Name: 4-(1,3-benzodioxol-5-yloxy)-3-(2,5-dimethylpyrrolidin-1-yl)-5-sulfamoylbenzoic acid Traditional Name: 4-(1,3-benzodioxol-5-yloxy)-3-(2,5-dimethylpyrrolidino)-5-sulfamoyl-benzoic acid Formula: C20H22N2O7S MolecularWeight: 434.46288

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(N1C2=C(C(=CC(=C2)C(=O)O)S(=O)(=O)N)OC3=CC4=C(C=C3)OCO4)C

Isomeric SMILES

CC1CCC(N1C2=C(C(=CC(=C2)C(=O)O)S(=O)(=O)N)OC3=CC4=C(C=C3)OCO4)C

InChI

InChI=1S/C20H22N2O7S/c1-11-3-4-12(2)22(11)15-7-13(20(23)24)8-18(30(21,25)26)19(15)29-14-5-6-16-17(9-14)28-10-27-16/h5-9,11-12H,3-4,10H2,1-2H3,(H,23,24)(H2,21,25,26)