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

Systemtic Name: 2-[(4-methylphenyl)sulfonyl-(4-phenylmethoxyphenyl)amino]ethanoic acid Openeye Name: 2-[4-benzyloxy-N-(p-tolylsulfonyl)anilino]acetic acid CAS Name: 2-(N-(4-methylphenyl)sulfonyl-4-phenylmethoxyanilino)acetic acid IUPAC Name: 2-(N-(4-methylphenyl)sulfonyl-4-phenylmethoxyanilino)acetic acid Traditional Name: 2-(4-benzoxy-N-tosyl-anilino)acetic acid Formula: C22H21NO5S MolecularWeight: 411.47084

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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)OCC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)O)C2=CC=C(C=C2)OCC3=CC=CC=C3

InChI

InChI=1S/C22H21NO5S/c1-17-7-13-21(14-8-17)29(26,27)23(15-22(24)25)19-9-11-20(12-10-19)28-16-18-5-3-2-4-6-18/h2-14H,15-16H2,1H3,(H,24,25)