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

Systemtic Name: 3-(3,3-dimethylpyrrolidin-1-yl)-4-(4-methylphenoxy)-5-sulfamoyl-benzoic acid Openeye Name: 3-(3,3-dimethylpyrrolidin-1-yl)-4-(4-methylphenoxy)-5-sulfamoyl-benzoic acid CAS Name: 3-(3,3-dimethyl-1-pyrrolidinyl)-4-(4-methylphenoxy)-5-sulfamoylbenzoic acid IUPAC Name: 3-(3,3-dimethylpyrrolidin-1-yl)-4-(4-methylphenoxy)-5-sulfamoylbenzoic acid Traditional Name: 3-(3,3-dimethylpyrrolidino)-4-(4-methylphenoxy)-5-sulfamoyl-benzoic acid Formula: C20H24N2O5S MolecularWeight: 404.47996

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OC2=C(C=C(C=C2S(=O)(=O)N)C(=O)O)N3CCC(C3)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)OC2=C(C=C(C=C2S(=O)(=O)N)C(=O)O)N3CCC(C3)(C)C

InChI

InChI=1S/C20H24N2O5S/c1-13-4-6-15(7-5-13)27-18-16(22-9-8-20(2,3)12-22)10-14(19(23)24)11-17(18)28(21,25)26/h4-7,10-11H,8-9,12H2,1-3H3,(H,23,24)(H2,21,25,26)