2-[2-[methylsulfonyl-(4-phenoxyphenyl)amino]ethanoylamino]benzoate

Systemtic Name: 2-[2-[methylsulfonyl-(4-phenoxyphenyl)amino]ethanoylamino]benzoate Openeye Name: 2-[[2-(N-methylsulfonyl-4-phenoxy-anilino)acetyl]amino]benzoate CAS Name: 2-[[2-(N-methylsulfonyl-4-phenoxyanilino)-1-oxoethyl]amino]benzoate IUPAC Name: 2-[[2-(N-methylsulfonyl-4-phenoxyanilino)acetyl]amino]benzoate Traditional Name: 2-[[2-(N-mesyl-4-phenoxy-anilino)acetyl]amino]benzoate Formula: C22H19N2O6S- MolecularWeight: 439.46106

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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)/p-1