ethanedioic acid; N-(2-pyridin-4-ylpropyl)ethanesulfonamide

Systemtic Name: ethanedioic acid; N-(2-pyridin-4-ylpropyl)ethanesulfonamide Openeye Name: oxalic acid; N-[2-(4-pyridyl)propyl]ethanesulfonamide CAS Name: oxalic acid; N-(2-pyridin-4-ylpropyl)ethanesulfonamide IUPAC Name: oxalic acid; N-(2-pyridin-4-ylpropyl)ethanesulfonamide Traditional Name: oxalic acid; N-[2-(4-pyridyl)propyl]ethanesulfonamide Formula: C12H18N2O6S MolecularWeight: 318.34612

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)NCC(C)C1=CC=NC=C1.C(=O)(C(=O)O)O

Isomeric SMILES

CCS(=O)(=O)NCC(C)C1=CC=NC=C1.C(=O)(C(=O)O)O

InChI

InChI=1S/C10H16N2O2S.C2H2O4/c1-3-15(13,14)12-8-9(2)10-4-6-11-7-5-10;3-1(4)2(5)6/h4-7,9,12H,3,8H2,1-2H3;(H,3,4)(H,5,6)