ethanedioic acid; 2-[(4-fluorophenyl)methylamino]-N-(4-methoxy-3-morpholin-4-ylsulfonyl-phenyl)ethanamide

Systemtic Name: ethanedioic acid; 2-[(4-fluorophenyl)methylamino]-N-(4-methoxy-3-morpholin-4-ylsulfonyl-phenyl)ethanamide Openeye Name: 2-[(4-fluorophenyl)methylamino]-N-(4-methoxy-3-morpholinosulfonyl-phenyl)acetamide; oxalic acid CAS Name: 2-[(4-fluorophenyl)methylamino]-N-[4-methoxy-3-(4-morpholinylsulfonyl)phenyl]acetamide; oxalic acid IUPAC Name: 2-[(4-fluorophenyl)methylamino]-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide; oxalic acid Traditional Name: 2-[(4-fluorobenzyl)amino]-N-(4-methoxy-3-morpholinosulfonyl-phenyl)acetamide; oxalic acid Formula: C22H26FN3O9S MolecularWeight: 527.519943

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)CNCC2=CC=C(C=C2)F)S(=O)(=O)N3CCOCC3.C(=O)(C(=O)O)O

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)CNCC2=CC=C(C=C2)F)S(=O)(=O)N3CCOCC3.C(=O)(C(=O)O)O

InChI

InChI=1S/C20H24FN3O5S.C2H2O4/c1-28-18-7-6-17(12-19(18)30(26,27)24-8-10-29-11-9-24)23-20(25)14-22-13-15-2-4-16(21)5-3-15;3-1(4)2(5)6/h2-7,12,22H,8-11,13-14H2,1H3,(H,23,25);(H,3,4)(H,5,6)