3,4-dimethyl-5-[[3-(pyridin-2-ylmethoxy)phenyl]sulfamoyl]benzoic acid

Systemtic Name: 3,4-dimethyl-5-[[3-(pyridin-2-ylmethoxy)phenyl]sulfamoyl]benzoic acid Openeye Name: 3,4-dimethyl-5-[[3-(2-pyridylmethoxy)phenyl]sulfamoyl]benzoic acid CAS Name: 3,4-dimethyl-5-[[3-(2-pyridinylmethoxy)phenyl]sulfamoyl]benzoic acid IUPAC Name: 3,4-dimethyl-5-[[3-(pyridin-2-ylmethoxy)phenyl]sulfamoyl]benzoic acid Traditional Name: 3,4-dimethyl-5-[[3-(2-pyridylmethoxy)phenyl]sulfamoyl]benzoic acid Formula: C21H20N2O5S MolecularWeight: 412.4589

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC(=C1)C(=O)O)S(=O)(=O)NC2=CC(=CC=C2)OCC3=CC=CC=N3)C

Isomeric SMILES

CC1=C(C(=CC(=C1)C(=O)O)S(=O)(=O)NC2=CC(=CC=C2)OCC3=CC=CC=N3)C

InChI

InChI=1S/C21H20N2O5S/c1-14-10-16(21(24)25)11-20(15(14)2)29(26,27)23-17-7-5-8-19(12-17)28-13-18-6-3-4-9-22-18/h3-12,23H,13H2,1-2H3,(H,24,25)