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

Systemtic Name: 3-(2,5-dimethylpyrrolidin-1-yl)-5-sulfamoyl-4-thiophen-3-yl-benzoic acid Openeye Name: 3-(2,5-dimethylpyrrolidin-1-yl)-5-sulfamoyl-4-(3-thienyl)benzoic acid CAS Name: 3-(2,5-dimethyl-1-pyrrolidinyl)-5-sulfamoyl-4-(3-thiophenyl)benzoic acid IUPAC Name: 3-(2,5-dimethylpyrrolidin-1-yl)-5-sulfamoyl-4-thiophen-3-ylbenzoic acid Traditional Name: 3-(2,5-dimethylpyrrolidino)-5-sulfamoyl-4-(3-thienyl)benzoic acid Formula: C17H20N2O4S2 MolecularWeight: 380.4817

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(N1C2=C(C(=CC(=C2)C(=O)O)S(=O)(=O)N)C3=CSC=C3)C

Isomeric SMILES

CC1CCC(N1C2=C(C(=CC(=C2)C(=O)O)S(=O)(=O)N)C3=CSC=C3)C

InChI

InChI=1S/C17H20N2O4S2/c1-10-3-4-11(2)19(10)14-7-13(17(20)21)8-15(25(18,22)23)16(14)12-5-6-24-9-12/h5-11H,3-4H2,1-2H3,(H,20,21)(H2,18,22,23)