ethanedioic acid; N-(pyridin-4-ylmethyl)-N-(2-pyrrolidin-1-ylsulfonylethyl)methanamide

Systemtic Name: ethanedioic acid; N-(pyridin-4-ylmethyl)-N-(2-pyrrolidin-1-ylsulfonylethyl)methanamide Openeye Name: oxalic acid; N-(4-pyridylmethyl)-N-(2-pyrrolidin-1-ylsulfonylethyl)formamide CAS Name: oxalic acid; N-(pyridin-4-ylmethyl)-N-[2-(1-pyrrolidinylsulfonyl)ethyl]formamide IUPAC Name: oxalic acid; N-(pyridin-4-ylmethyl)-N-(2-pyrrolidin-1-ylsulfonylethyl)formamide Traditional Name: oxalic acid; N-(4-pyridylmethyl)-N-(2-pyrrolidinosulfonylethyl)formamide Formula: C15H21N3O7S MolecularWeight: 387.40814

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)CCN(CC2=CC=NC=C2)C=O.C(=O)(C(=O)O)O

Isomeric SMILES

C1CCN(C1)S(=O)(=O)CCN(CC2=CC=NC=C2)C=O.C(=O)(C(=O)O)O

InChI

InChI=1S/C13H19N3O3S.C2H2O4/c17-12-15(11-13-3-5-14-6-4-13)9-10-20(18,19)16-7-1-2-8-16;3-1(4)2(5)6/h3-6,12H,1-2,7-11H2;(H,3,4)(H,5,6)