2-[[4-(4-methylsulfonylphenyl)-3-phenoxy-phenyl]carbonylamino]benzoic acid

Systemtic Name: 2-[[4-(4-methylsulfonylphenyl)-3-phenoxy-phenyl]carbonylamino]benzoic acid Openeye Name: 2-[[4-(4-methylsulfonylphenyl)-3-phenoxy-benzoyl]amino]benzoic acid CAS Name: 2-[[[4-(4-methylsulfonylphenyl)-3-phenoxyphenyl]-oxomethyl]amino]benzoic acid IUPAC Name: 2-[[4-(4-methylsulfonylphenyl)-3-phenoxybenzoyl]amino]benzoic acid Traditional Name: 2-[[4-(4-mesylphenyl)-3-phenoxy-benzoyl]amino]benzoic acid Formula: C27H21NO6S MolecularWeight: 487.52374

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)C2=C(C=C(C=C2)C(=O)NC3=CC=CC=C3C(=O)O)OC4=CC=CC=C4

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)C2=C(C=C(C=C2)C(=O)NC3=CC=CC=C3C(=O)O)OC4=CC=CC=C4

InChI

InChI=1S/C27H21NO6S/c1-35(32,33)21-14-11-18(12-15-21)22-16-13-19(17-25(22)34-20-7-3-2-4-8-20)26(29)28-24-10-6-5-9-23(24)27(30)31/h2-17H,1H3,(H,28,29)(H,30,31)