2-[(4-methylphenyl)sulfonyl-(2-phenylphenyl)amino]propanoic acid

Systemtic Name: 2-[(4-methylphenyl)sulfonyl-(2-phenylphenyl)amino]propanoic acid Openeye Name: 2-[2-phenyl-N-(p-tolylsulfonyl)anilino]propanoic acid CAS Name: 2-(N-(4-methylphenyl)sulfonyl-2-phenylanilino)propanoic acid IUPAC Name: 2-(N-(4-methylphenyl)sulfonyl-2-phenylanilino)propanoic acid Traditional Name: 2-(2-phenyl-N-tosyl-anilino)propionic acid Formula: C22H21NO4S MolecularWeight: 395.47144

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(C2=CC=CC=C2C3=CC=CC=C3)C(C)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(C2=CC=CC=C2C3=CC=CC=C3)C(C)C(=O)O

InChI

InChI=1S/C22H21NO4S/c1-16-12-14-19(15-13-16)28(26,27)23(17(2)22(24)25)21-11-7-6-10-20(21)18-8-4-3-5-9-18/h3-15,17H,1-2H3,(H,24,25)