2-methoxy-5-[[[3-(methylsulfonylmethyl)phenyl]carbonylamino]methyl]benzoic acid

Systemtic Name: 2-methoxy-5-[[[3-(methylsulfonylmethyl)phenyl]carbonylamino]methyl]benzoic acid Openeye Name: 2-methoxy-5-[[[3-(methylsulfonylmethyl)benzoyl]amino]methyl]benzoic acid CAS Name: 2-methoxy-5-[[[[3-(methylsulfonylmethyl)phenyl]-oxomethyl]amino]methyl]benzoic acid IUPAC Name: 2-methoxy-5-[[[3-(methylsulfonylmethyl)benzoyl]amino]methyl]benzoic acid Traditional Name: 5-[[[3-(mesylmethyl)benzoyl]amino]methyl]-2-methoxy-benzoic acid Formula: C18H19NO6S MolecularWeight: 377.41156

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC(=O)C2=CC(=CC=C2)CS(=O)(=O)C)C(=O)O

Isomeric SMILES

COC1=C(C=C(C=C1)CNC(=O)C2=CC(=CC=C2)CS(=O)(=O)C)C(=O)O

InChI

InChI=1S/C18H19NO6S/c1-25-16-7-6-12(9-15(16)18(21)22)10-19-17(20)14-5-3-4-13(8-14)11-26(2,23)24/h3-9H,10-11H2,1-2H3,(H,19,20)(H,21,22)