2-[2-(dimethylsulfamoyl)ethyl-(pyridin-2-ylmethyl)carbamoyl]benzoic acid; ethanedioic acid

Systemtic Name: 2-[2-(dimethylsulfamoyl)ethyl-(pyridin-2-ylmethyl)carbamoyl]benzoic acid; ethanedioic acid Openeye Name: 2-[2-(dimethylsulfamoyl)ethyl-(2-pyridylmethyl)carbamoyl]benzoic acid; oxalic acid CAS Name: 2-[[2-(dimethylsulfamoyl)ethyl-(2-pyridinylmethyl)amino]-oxomethyl]benzoic acid; oxalic acid IUPAC Name: 2-[2-(dimethylsulfamoyl)ethyl-(pyridin-2-ylmethyl)carbamoyl]benzoic acid; oxalic acid Traditional Name: 2-[2-(dimethylsulfamoyl)ethyl-(2-pyridylmethyl)carbamoyl]benzoic acid; oxalic acid Formula: C20H23N3O9S MolecularWeight: 481.47632

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)S(=O)(=O)CCN(CC1=CC=CC=N1)C(=O)C2=CC=CC=C2C(=O)O.C(=O)(C(=O)O)O

Isomeric SMILES

CN(C)S(=O)(=O)CCN(CC1=CC=CC=N1)C(=O)C2=CC=CC=C2C(=O)O.C(=O)(C(=O)O)O

InChI

InChI=1S/C18H21N3O5S.C2H2O4/c1-20(2)27(25,26)12-11-21(13-14-7-5-6-10-19-14)17(22)15-8-3-4-9-16(15)18(23)24;3-1(4)2(5)6/h3-10H,11-13H2,1-2H3,(H,23,24);(H,3,4)(H,5,6)