ethanedioic acid; 3-methoxy-N-(2-piperidin-1-ylsulfonylethyl)-N-(pyridin-4-ylmethyl)benzamide

Systemtic Name: ethanedioic acid; 3-methoxy-N-(2-piperidin-1-ylsulfonylethyl)-N-(pyridin-4-ylmethyl)benzamide Openeye Name: 3-methoxy-N-[2-(1-piperidylsulfonyl)ethyl]-N-(4-pyridylmethyl)benzamide; oxalic acid CAS Name: 3-methoxy-N-[2-(1-piperidinylsulfonyl)ethyl]-N-(pyridin-4-ylmethyl)benzamide; oxalic acid IUPAC Name: 3-methoxy-N-(2-piperidin-1-ylsulfonylethyl)-N-(pyridin-4-ylmethyl)benzamide; oxalic acid Traditional Name: 3-methoxy-N-(2-piperidinosulfonylethyl)-N-(4-pyridylmethyl)benzamide; oxalic acid Formula: C23H29N3O8S MolecularWeight: 507.55666

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(=O)N(CCS(=O)(=O)N2CCCCC2)CC3=CC=NC=C3.C(=O)(C(=O)O)O

Isomeric SMILES

COC1=CC=CC(=C1)C(=O)N(CCS(=O)(=O)N2CCCCC2)CC3=CC=NC=C3.C(=O)(C(=O)O)O

InChI

InChI=1S/C21H27N3O4S.C2H2O4/c1-28-20-7-5-6-19(16-20)21(25)23(17-18-8-10-22-11-9-18)14-15-29(26,27)24-12-3-2-4-13-24;3-1(4)2(5)6/h5-11,16H,2-4,12-15,17H2,1H3;(H,3,4)(H,5,6)