2-[(4-methylphenyl)sulfonyl-(4-phenoxyphenyl)amino]ethanoic acid

Systemtic Name: 2-[(4-methylphenyl)sulfonyl-(4-phenoxyphenyl)amino]ethanoic acid Openeye Name: 2-[4-phenoxy-N-(p-tolylsulfonyl)anilino]acetic acid CAS Name: 2-(N-(4-methylphenyl)sulfonyl-4-phenoxyanilino)acetic acid IUPAC Name: 2-(N-(4-methylphenyl)sulfonyl-4-phenoxyanilino)acetic acid Traditional Name: 2-(4-phenoxy-N-tosyl-anilino)acetic acid Formula: C21H19NO5S MolecularWeight: 397.44426

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)O)C2=CC=C(C=C2)OC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)O)C2=CC=C(C=C2)OC3=CC=CC=C3

InChI

InChI=1S/C21H19NO5S/c1-16-7-13-20(14-8-16)28(25,26)22(15-21(23)24)17-9-11-19(12-10-17)27-18-5-3-2-4-6-18/h2-14H,15H2,1H3,(H,23,24)