5-[[(4-fluoranyl-3-morpholin-4-ylsulfonyl-phenyl)carbonylamino]methyl]-2-methoxy-benzoic acid

Systemtic Name: 5-[[(4-fluoranyl-3-morpholin-4-ylsulfonyl-phenyl)carbonylamino]methyl]-2-methoxy-benzoic acid Openeye Name: 5-[[(4-fluoro-3-morpholinosulfonyl-benzoyl)amino]methyl]-2-methoxy-benzoic acid CAS Name: 5-[[[[4-fluoro-3-(4-morpholinylsulfonyl)phenyl]-oxomethyl]amino]methyl]-2-methoxybenzoic acid IUPAC Name: 5-[[(4-fluoro-3-morpholin-4-ylsulfonylbenzoyl)amino]methyl]-2-methoxybenzoic acid Traditional Name: 5-[[(4-fluoro-3-morpholinosulfonyl-benzoyl)amino]methyl]-2-methoxy-benzoic acid Formula: C20H21FN2O7S MolecularWeight: 452.453343

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC(=O)C2=CC(=C(C=C2)F)S(=O)(=O)N3CCOCC3)C(=O)O

Isomeric SMILES

COC1=C(C=C(C=C1)CNC(=O)C2=CC(=C(C=C2)F)S(=O)(=O)N3CCOCC3)C(=O)O

InChI

InChI=1S/C20H21FN2O7S/c1-29-17-5-2-13(10-15(17)20(25)26)12-22-19(24)14-3-4-16(21)18(11-14)31(27,28)23-6-8-30-9-7-23/h2-5,10-11H,6-9,12H2,1H3,(H,22,24)(H,25,26)