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

Systemtic Name: 5-[[2-(1,3-benzodioxol-5-yl)-2-pyrrolidin-1-yl-ethyl]sulfamoyl]-2-chloranyl-benzoic acid Openeye Name: 5-[[2-(1,3-benzodioxol-5-yl)-2-pyrrolidin-1-yl-ethyl]sulfamoyl]-2-chloro-benzoic acid CAS Name: 5-[[2-(1,3-benzodioxol-5-yl)-2-(1-pyrrolidinyl)ethyl]sulfamoyl]-2-chlorobenzoic acid IUPAC Name: 5-[[2-(1,3-benzodioxol-5-yl)-2-pyrrolidin-1-ylethyl]sulfamoyl]-2-chlorobenzoic acid Traditional Name: 5-[[2-(1,3-benzodioxol-5-yl)-2-pyrrolidino-ethyl]sulfamoyl]-2-chloro-benzoic acid Formula: C20H21ClN2O6S MolecularWeight: 452.90854

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21ClN2O6S/c21-16-5-4-14(10-15(16)20(24)25)30(26,27)22-11-17(23-7-1-2-8-23)13-3-6-18-19(9-13)29-12-28-18/h3-6,9-10,17,22H,1-2,7-8,11-12H2,(H,24,25)