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

Systemtic Name: 4-(4-chloranylphenoxy)-3-(3,4-dimethylpyrrolidin-1-yl)-5-sulfamoyl-benzoic acid Openeye Name: 4-(4-chlorophenoxy)-3-(3,4-dimethylpyrrolidin-1-yl)-5-sulfamoyl-benzoic acid CAS Name: 4-(4-chlorophenoxy)-3-(3,4-dimethyl-1-pyrrolidinyl)-5-sulfamoylbenzoic acid IUPAC Name: 4-(4-chlorophenoxy)-3-(3,4-dimethylpyrrolidin-1-yl)-5-sulfamoylbenzoic acid Traditional Name: 4-(4-chlorophenoxy)-3-(3,4-dimethylpyrrolidino)-5-sulfamoyl-benzoic acid Formula: C19H21ClN2O5S MolecularWeight: 424.89844

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CC1C)C2=C(C(=CC(=C2)C(=O)O)S(=O)(=O)N)OC3=CC=C(C=C3)Cl

Isomeric SMILES

CC1CN(CC1C)C2=C(C(=CC(=C2)C(=O)O)S(=O)(=O)N)OC3=CC=C(C=C3)Cl

InChI

InChI=1S/C19H21ClN2O5S/c1-11-9-22(10-12(11)2)16-7-13(19(23)24)8-17(28(21,25)26)18(16)27-15-5-3-14(20)4-6-15/h3-8,11-12H,9-10H2,1-2H3,(H,23,24)(H2,21,25,26)