ethanedioic acid; 4-[2-(methylsulfamoyl)ethyl-(pyridin-4-ylmethyl)amino]-4-oxidanylidene-butanoic acid

Systemtic Name: ethanedioic acid; 4-[2-(methylsulfamoyl)ethyl-(pyridin-4-ylmethyl)amino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[2-(methylsulfamoyl)ethyl-(4-pyridylmethyl)amino]-4-oxo-butanoic acid; oxalic acid CAS Name: 4-[2-(methylsulfamoyl)ethyl-(pyridin-4-ylmethyl)amino]-4-oxobutanoic acid; oxalic acid IUPAC Name: 4-[2-(methylsulfamoyl)ethyl-(pyridin-4-ylmethyl)amino]-4-oxobutanoic acid; oxalic acid Traditional Name: 4-keto-4-[2-(methylsulfamoyl)ethyl-(4-pyridylmethyl)amino]butyric acid; oxalic acid Formula: C15H21N3O9S MolecularWeight: 419.40694

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Descriptors Computed from Structure

Canonical SMILES:

CNS(=O)(=O)CCN(CC1=CC=NC=C1)C(=O)CCC(=O)O.C(=O)(C(=O)O)O

Isomeric SMILES

CNS(=O)(=O)CCN(CC1=CC=NC=C1)C(=O)CCC(=O)O.C(=O)(C(=O)O)O

InChI

InChI=1S/C13H19N3O5S.C2H2O4/c1-14-22(20,21)9-8-16(12(17)2-3-13(18)19)10-11-4-6-15-7-5-11;3-1(4)2(5)6/h4-7,14H,2-3,8-10H2,1H3,(H,18,19);(H,3,4)(H,5,6)