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

Systemtic Name: ethanedioic acid; 3-methoxy-N-(pyridin-3-ylmethyl)-N-(2-pyrrolidin-1-ylsulfonylethyl)benzamide Openeye Name: 3-methoxy-N-(3-pyridylmethyl)-N-(2-pyrrolidin-1-ylsulfonylethyl)benzamide; oxalic acid CAS Name: 3-methoxy-N-(3-pyridinylmethyl)-N-[2-(1-pyrrolidinylsulfonyl)ethyl]benzamide; oxalic acid IUPAC Name: 3-methoxy-N-(pyridin-3-ylmethyl)-N-(2-pyrrolidin-1-ylsulfonylethyl)benzamide; oxalic acid Traditional Name: 3-methoxy-N-(3-pyridylmethyl)-N-(2-pyrrolidinosulfonylethyl)benzamide; oxalic acid Formula: C22H27N3O8S MolecularWeight: 493.53008

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(=O)N(CCS(=O)(=O)N2CCCC2)CC3=CN=CC=C3.C(=O)(C(=O)O)O

Isomeric SMILES

COC1=CC=CC(=C1)C(=O)N(CCS(=O)(=O)N2CCCC2)CC3=CN=CC=C3.C(=O)(C(=O)O)O

InChI

InChI=1S/C20H25N3O4S.C2H2O4/c1-27-19-8-4-7-18(14-19)20(24)22(16-17-6-5-9-21-15-17)12-13-28(25,26)23-10-2-3-11-23;3-1(4)2(5)6/h4-9,14-15H,2-3,10-13,16H2,1H3;(H,3,4)(H,5,6)