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

Systemtic Name: 5-[[(2-fluoranyl-5-morpholin-4-ylsulfonyl-phenyl)carbonylamino]methyl]-2-methoxy-benzoic acid Openeye Name: 5-[[(2-fluoro-5-morpholinosulfonyl-benzoyl)amino]methyl]-2-methoxy-benzoic acid CAS Name: 5-[[[[2-fluoro-5-(4-morpholinylsulfonyl)phenyl]-oxomethyl]amino]methyl]-2-methoxybenzoic acid IUPAC Name: 5-[[(2-fluoro-5-morpholin-4-ylsulfonylbenzoyl)amino]methyl]-2-methoxybenzoic acid Traditional Name: 5-[[(2-fluoro-5-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=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)F)C(=O)O

Isomeric SMILES

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

InChI

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