ethanedioic acid; 3-methoxy-N-(2-morpholin-4-ylsulfonylethyl)-N-(pyridin-4-ylmethyl)benzamide

Systemtic Name: ethanedioic acid; 3-methoxy-N-(2-morpholin-4-ylsulfonylethyl)-N-(pyridin-4-ylmethyl)benzamide Openeye Name: 3-methoxy-N-(2-morpholinosulfonylethyl)-N-(4-pyridylmethyl)benzamide; oxalic acid CAS Name: 3-methoxy-N-[2-(4-morpholinylsulfonyl)ethyl]-N-(pyridin-4-ylmethyl)benzamide; oxalic acid IUPAC Name: 3-methoxy-N-(2-morpholin-4-ylsulfonylethyl)-N-(pyridin-4-ylmethyl)benzamide; oxalic acid Traditional Name: 3-methoxy-N-(2-morpholinosulfonylethyl)-N-(4-pyridylmethyl)benzamide; oxalic acid Formula: C22H27N3O9S MolecularWeight: 509.52948

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(=O)N(CCS(=O)(=O)N2CCOCC2)CC3=CC=NC=C3.C(=O)(C(=O)O)O

Isomeric SMILES

COC1=CC=CC(=C1)C(=O)N(CCS(=O)(=O)N2CCOCC2)CC3=CC=NC=C3.C(=O)(C(=O)O)O

InChI

InChI=1S/C20H25N3O5S.C2H2O4/c1-27-19-4-2-3-18(15-19)20(24)22(16-17-5-7-21-8-6-17)11-14-29(25,26)23-9-12-28-13-10-23;3-1(4)2(5)6/h2-8,15H,9-14,16H2,1H3;(H,3,4)(H,5,6)