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

Systemtic Name: 2-[[4-chloranyl-2-(4-methylphenyl)sulfonyl-phenyl]amino]propanoic acid Openeye Name: 2-[4-chloro-2-(p-tolylsulfonyl)anilino]propanoic acid CAS Name: 2-[4-chloro-2-(4-methylphenyl)sulfonylanilino]propanoic acid IUPAC Name: 2-[4-chloro-2-(4-methylphenyl)sulfonylanilino]propanoic acid Traditional Name: 2-(4-chloro-2-tosyl-anilino)propionic acid Formula: C16H16ClNO4S MolecularWeight: 353.82054

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C2=C(C=CC(=C2)Cl)NC(C)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C2=C(C=CC(=C2)Cl)NC(C)C(=O)O

InChI

InChI=1S/C16H16ClNO4S/c1-10-3-6-13(7-4-10)23(21,22)15-9-12(17)5-8-14(15)18-11(2)16(19)20/h3-9,11,18H,1-2H3,(H,19,20)