ethanedioic acid; N-(2-methyl-5-morpholin-4-ylsulfonyl-phenyl)-2-(pyridin-3-ylmethylamino)ethanamide

Systemtic Name: ethanedioic acid; N-(2-methyl-5-morpholin-4-ylsulfonyl-phenyl)-2-(pyridin-3-ylmethylamino)ethanamide Openeye Name: N-(2-methyl-5-morpholinosulfonyl-phenyl)-2-(3-pyridylmethylamino)acetamide; oxalic acid CAS Name: N-[2-methyl-5-(4-morpholinylsulfonyl)phenyl]-2-(3-pyridinylmethylamino)acetamide; oxalic acid IUPAC Name: N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)-2-(pyridin-3-ylmethylamino)acetamide; oxalic acid Traditional Name: N-(2-methyl-5-morpholinosulfonyl-phenyl)-2-(3-pyridylmethylamino)acetamide; oxalic acid Formula: C21H26N4O8S MolecularWeight: 494.51814

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)NC(=O)CNCC3=CN=CC=C3.C(=O)(C(=O)O)O

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)NC(=O)CNCC3=CN=CC=C3.C(=O)(C(=O)O)O

InChI

InChI=1S/C19H24N4O4S.C2H2O4/c1-15-4-5-17(28(25,26)23-7-9-27-10-8-23)11-18(15)22-19(24)14-21-13-16-3-2-6-20-12-16;3-1(4)2(5)6/h2-6,11-12,21H,7-10,13-14H2,1H3,(H,22,24);(H,3,4)(H,5,6)