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

Systemtic Name: 3-[[2-(1,3-benzodioxol-5-yl)-2-pyrrolidin-1-yl-ethyl]sulfamoyl]-4-chloranyl-benzoic acid Openeye Name: 3-[[2-(1,3-benzodioxol-5-yl)-2-pyrrolidin-1-yl-ethyl]sulfamoyl]-4-chloro-benzoic acid CAS Name: 3-[[2-(1,3-benzodioxol-5-yl)-2-(1-pyrrolidinyl)ethyl]sulfamoyl]-4-chlorobenzoic acid IUPAC Name: 3-[[2-(1,3-benzodioxol-5-yl)-2-pyrrolidin-1-ylethyl]sulfamoyl]-4-chlorobenzoic acid Traditional Name: 3-[[2-(1,3-benzodioxol-5-yl)-2-pyrrolidino-ethyl]sulfamoyl]-4-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=C(C=CC(=C2)C(=O)O)Cl)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

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

InChI

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