2-[2-[methylsulfonyl-(4-phenoxyphenyl)amino]ethanoylamino]benzoic acid

Systemtic Name: 2-[2-[methylsulfonyl-(4-phenoxyphenyl)amino]ethanoylamino]benzoic acid Openeye Name: 2-[[2-(N-methylsulfonyl-4-phenoxy-anilino)acetyl]amino]benzoic acid CAS Name: 2-[[2-(N-methylsulfonyl-4-phenoxyanilino)-1-oxoethyl]amino]benzoic acid IUPAC Name: 2-[[2-(N-methylsulfonyl-4-phenoxyanilino)acetyl]amino]benzoic acid Traditional Name: 2-[[2-(N-mesyl-4-phenoxy-anilino)acetyl]amino]benzoic acid Formula: C22H20N2O6S MolecularWeight: 440.469

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N(CC(=O)NC1=CC=CC=C1C(=O)O)C2=CC=C(C=C2)OC3=CC=CC=C3

Isomeric SMILES

CS(=O)(=O)N(CC(=O)NC1=CC=CC=C1C(=O)O)C2=CC=C(C=C2)OC3=CC=CC=C3

InChI

InChI=1S/C22H20N2O6S/c1-31(28,29)24(15-21(25)23-20-10-6-5-9-19(20)22(26)27)16-11-13-18(14-12-16)30-17-7-3-2-4-8-17/h2-14H,15H2,1H3,(H,23,25)(H,26,27)