ethanedioic acid; 2-[1-(3-fluorophenyl)ethylamino]-N-(2-methylsulfonylphenyl)ethanamide

Systemtic Name: ethanedioic acid; 2-[1-(3-fluorophenyl)ethylamino]-N-(2-methylsulfonylphenyl)ethanamide Openeye Name: 2-[1-(3-fluorophenyl)ethylamino]-N-(2-methylsulfonylphenyl)acetamide; oxalic acid CAS Name: 2-[1-(3-fluorophenyl)ethylamino]-N-(2-methylsulfonylphenyl)acetamide; oxalic acid IUPAC Name: 2-[1-(3-fluorophenyl)ethylamino]-N-(2-methylsulfonylphenyl)acetamide; oxalic acid Traditional Name: 2-[1-(3-fluorophenyl)ethylamino]-N-(2-mesylphenyl)acetamide; oxalic acid Formula: C19H21FN2O7S MolecularWeight: 440.442643

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC(=CC=C1)F)NCC(=O)NC2=CC=CC=C2S(=O)(=O)C.C(=O)(C(=O)O)O

Isomeric SMILES

CC(C1=CC(=CC=C1)F)NCC(=O)NC2=CC=CC=C2S(=O)(=O)C.C(=O)(C(=O)O)O

InChI

InChI=1S/C17H19FN2O3S.C2H2O4/c1-12(13-6-5-7-14(18)10-13)19-11-17(21)20-15-8-3-4-9-16(15)24(2,22)23;3-1(4)2(5)6/h3-10,12,19H,11H2,1-2H3,(H,20,21);(H,3,4)(H,5,6)