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

Systemtic Name: 4-[[2-(1,3-benzodioxol-5-yl)-2-pyrrolidin-1-yl-ethyl]sulfamoyl]benzoic acid Openeye Name: 4-[[2-(1,3-benzodioxol-5-yl)-2-pyrrolidin-1-yl-ethyl]sulfamoyl]benzoic acid CAS Name: 4-[[2-(1,3-benzodioxol-5-yl)-2-(1-pyrrolidinyl)ethyl]sulfamoyl]benzoic acid IUPAC Name: 4-[[2-(1,3-benzodioxol-5-yl)-2-pyrrolidin-1-ylethyl]sulfamoyl]benzoic acid Traditional Name: 4-[[2-(1,3-benzodioxol-5-yl)-2-pyrrolidino-ethyl]sulfamoyl]benzoic acid Formula: C20H22N2O6S MolecularWeight: 418.46348

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(CNS(=O)(=O)C2=CC=C(C=C2)C(=O)O)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1CCN(C1)C(CNS(=O)(=O)C2=CC=C(C=C2)C(=O)O)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C20H22N2O6S/c23-20(24)14-3-6-16(7-4-14)29(25,26)21-12-17(22-9-1-2-10-22)15-5-8-18-19(11-15)28-13-27-18/h3-8,11,17,21H,1-2,9-10,12-13H2,(H,23,24)