ethanedioic acid; N-(2-methyl-5-morpholin-4-ylsulfonyl-phenyl)-2-(1-phenylethylamino)ethanamide

Systemtic Name: ethanedioic acid; N-(2-methyl-5-morpholin-4-ylsulfonyl-phenyl)-2-(1-phenylethylamino)ethanamide Openeye Name: N-(2-methyl-5-morpholinosulfonyl-phenyl)-2-(1-phenylethylamino)acetamide; oxalic acid CAS Name: N-[2-methyl-5-(4-morpholinylsulfonyl)phenyl]-2-(1-phenylethylamino)acetamide; oxalic acid IUPAC Name: N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)-2-(1-phenylethylamino)acetamide; oxalic acid Traditional Name: N-(2-methyl-5-morpholinosulfonyl-phenyl)-2-(1-phenylethylamino)acetamide; oxalic acid Formula: C23H29N3O8S MolecularWeight: 507.55666

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27N3O4S.C2H2O4/c1-16-8-9-19(29(26,27)24-10-12-28-13-11-24)14-20(16)23-21(25)15-22-17(2)18-6-4-3-5-7-18;3-1(4)2(5)6/h3-9,14,17,22H,10-13,15H2,1-2H3,(H,23,25);(H,3,4)(H,5,6)