2-fluoranyl-5-[(3-pyrrolidin-1-ylsulfonylphenyl)sulfamoyl]benzoic acid

Systemtic Name: 2-fluoranyl-5-[(3-pyrrolidin-1-ylsulfonylphenyl)sulfamoyl]benzoic acid Openeye Name: 2-fluoro-5-[(3-pyrrolidin-1-ylsulfonylphenyl)sulfamoyl]benzoic acid CAS Name: 2-fluoro-5-[[3-(1-pyrrolidinylsulfonyl)phenyl]sulfamoyl]benzoic acid IUPAC Name: 2-fluoro-5-[(3-pyrrolidin-1-ylsulfonylphenyl)sulfamoyl]benzoic acid Traditional Name: 2-fluoro-5-[(3-pyrrolidinosulfonylphenyl)sulfamoyl]benzoic acid Formula: C17H17FN2O6S2 MolecularWeight: 428.455083

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)NS(=O)(=O)C3=CC(=C(C=C3)F)C(=O)O

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)NS(=O)(=O)C3=CC(=C(C=C3)F)C(=O)O

InChI

InChI=1S/C17H17FN2O6S2/c18-16-7-6-13(11-15(16)17(21)22)27(23,24)19-12-4-3-5-14(10-12)28(25,26)20-8-1-2-9-20/h3-7,10-11,19H,1-2,8-9H2,(H,21,22)