ethanedioic acid; 2-ethoxy-N-(pyridin-4-ylmethyl)-N-(2-pyrrolidin-1-ylsulfonylethyl)pyridine-3-carboxamide

Systemtic Name: ethanedioic acid; 2-ethoxy-N-(pyridin-4-ylmethyl)-N-(2-pyrrolidin-1-ylsulfonylethyl)pyridine-3-carboxamide Openeye Name: 2-ethoxy-N-(4-pyridylmethyl)-N-(2-pyrrolidin-1-ylsulfonylethyl)pyridine-3-carboxamide; oxalic acid CAS Name: 2-ethoxy-N-(pyridin-4-ylmethyl)-N-[2-(1-pyrrolidinylsulfonyl)ethyl]-3-pyridinecarboxamide; oxalic acid IUPAC Name: 2-ethoxy-N-(pyridin-4-ylmethyl)-N-(2-pyrrolidin-1-ylsulfonylethyl)pyridine-3-carboxamide; oxalic acid Traditional Name: 2-ethoxy-N-(4-pyridylmethyl)-N-(2-pyrrolidinosulfonylethyl)nicotinamide; oxalic acid Formula: C22H28N4O8S MolecularWeight: 508.54472

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC=N1)C(=O)N(CCS(=O)(=O)N2CCCC2)CC3=CC=NC=C3.C(=O)(C(=O)O)O

Isomeric SMILES

CCOC1=C(C=CC=N1)C(=O)N(CCS(=O)(=O)N2CCCC2)CC3=CC=NC=C3.C(=O)(C(=O)O)O

InChI

InChI=1S/C20H26N4O4S.C2H2O4/c1-2-28-19-18(6-5-9-22-19)20(25)23(16-17-7-10-21-11-8-17)14-15-29(26,27)24-12-3-4-13-24;3-1(4)2(5)6/h5-11H,2-4,12-16H2,1H3;(H,3,4)(H,5,6)