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

Systemtic Name: 2-methoxy-5-[[(3-methylsulfonylphenyl)carbonylamino]methyl]benzoic acid Openeye Name: 2-methoxy-5-[[(3-methylsulfonylbenzoyl)amino]methyl]benzoic acid CAS Name: 2-methoxy-5-[[[(3-methylsulfonylphenyl)-oxomethyl]amino]methyl]benzoic acid IUPAC Name: 2-methoxy-5-[[(3-methylsulfonylbenzoyl)amino]methyl]benzoic acid Traditional Name: 5-[[(3-mesylbenzoyl)amino]methyl]-2-methoxy-benzoic acid Formula: C17H17NO6S MolecularWeight: 363.38498

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17NO6S/c1-24-15-7-6-11(8-14(15)17(20)21)10-18-16(19)12-4-3-5-13(9-12)25(2,22)23/h3-9H,10H2,1-2H3,(H,18,19)(H,20,21)