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

Systemtic Name: ethanedioic acid; 2-ethoxy-N-(2-piperidin-1-ylsulfonylethyl)-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide Openeye Name: 2-ethoxy-N-[2-(1-piperidylsulfonyl)ethyl]-N-(4-pyridylmethyl)pyridine-3-carboxamide; oxalic acid CAS Name: 2-ethoxy-N-[2-(1-piperidinylsulfonyl)ethyl]-N-(pyridin-4-ylmethyl)-3-pyridinecarboxamide; oxalic acid IUPAC Name: 2-ethoxy-N-(2-piperidin-1-ylsulfonylethyl)-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide; oxalic acid Traditional Name: 2-ethoxy-N-(2-piperidinosulfonylethyl)-N-(4-pyridylmethyl)nicotinamide; oxalic acid Formula: C23H30N4O8S MolecularWeight: 522.5713

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC=N1)C(=O)N(CCS(=O)(=O)N2CCCCC2)CC3=CC=NC=C3.C(=O)(C(=O)O)O

Isomeric SMILES

CCOC1=C(C=CC=N1)C(=O)N(CCS(=O)(=O)N2CCCCC2)CC3=CC=NC=C3.C(=O)(C(=O)O)O

InChI

InChI=1S/C21H28N4O4S.C2H2O4/c1-2-29-20-19(7-6-10-23-20)21(26)24(17-18-8-11-22-12-9-18)15-16-30(27,28)25-13-4-3-5-14-25;3-1(4)2(5)6/h6-12H,2-5,13-17H2,1H3;(H,3,4)(H,5,6)