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

Systemtic Name: 3-(2,5-dimethylpyrrolidin-1-yl)-4-pyridin-3-yloxy-5-sulfamoyl-benzoic acid Openeye Name: 3-(2,5-dimethylpyrrolidin-1-yl)-4-(3-pyridyloxy)-5-sulfamoyl-benzoic acid CAS Name: 3-(2,5-dimethyl-1-pyrrolidinyl)-4-(3-pyridinyloxy)-5-sulfamoylbenzoic acid IUPAC Name: 3-(2,5-dimethylpyrrolidin-1-yl)-4-pyridin-3-yloxy-5-sulfamoylbenzoic acid Traditional Name: 3-(2,5-dimethylpyrrolidino)-4-(3-pyridyloxy)-5-sulfamoyl-benzoic acid Formula: C18H21N3O5S MolecularWeight: 391.44144

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(N1C2=C(C(=CC(=C2)C(=O)O)S(=O)(=O)N)OC3=CN=CC=C3)C

Isomeric SMILES

CC1CCC(N1C2=C(C(=CC(=C2)C(=O)O)S(=O)(=O)N)OC3=CN=CC=C3)C

InChI

InChI=1S/C18H21N3O5S/c1-11-5-6-12(2)21(11)15-8-13(18(22)23)9-16(27(19,24)25)17(15)26-14-4-3-7-20-10-14/h3-4,7-12H,5-6H2,1-2H3,(H,22,23)(H2,19,24,25)