4,5-diethoxy-2-[(2-methylsulfonylphenyl)carbonylamino]benzoic acid

Systemtic Name: 4,5-diethoxy-2-[(2-methylsulfonylphenyl)carbonylamino]benzoic acid Openeye Name: 4,5-diethoxy-2-[(2-methylsulfonylbenzoyl)amino]benzoic acid CAS Name: 4,5-diethoxy-2-[[(2-methylsulfonylphenyl)-oxomethyl]amino]benzoic acid IUPAC Name: 4,5-diethoxy-2-[(2-methylsulfonylbenzoyl)amino]benzoic acid Traditional Name: 4,5-diethoxy-2-[(2-mesylbenzoyl)amino]benzoic acid Formula: C19H21NO7S MolecularWeight: 407.43754

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C(=C1)C(=O)O)NC(=O)C2=CC=CC=C2S(=O)(=O)C)OCC

Isomeric SMILES

CCOC1=C(C=C(C(=C1)C(=O)O)NC(=O)C2=CC=CC=C2S(=O)(=O)C)OCC

InChI

InChI=1S/C19H21NO7S/c1-4-26-15-10-13(19(22)23)14(11-16(15)27-5-2)20-18(21)12-8-6-7-9-17(12)28(3,24)25/h6-11H,4-5H2,1-3H3,(H,20,21)(H,22,23)