3-[4-chloranyl-2-[(2-chloranyl-4-methylsulfonyl-phenyl)amino]phenyl]propanoic acid

Systemtic Name: 3-[4-chloranyl-2-[(2-chloranyl-4-methylsulfonyl-phenyl)amino]phenyl]propanoic acid Openeye Name: 3-[4-chloro-2-(2-chloro-4-methylsulfonyl-anilino)phenyl]propanoic acid CAS Name: 3-[4-chloro-2-(2-chloro-4-methylsulfonylanilino)phenyl]propanoic acid IUPAC Name: 3-[4-chloro-2-(2-chloro-4-methylsulfonylanilino)phenyl]propanoic acid Traditional Name: 3-[4-chloro-2-(2-chloro-4-mesyl-anilino)phenyl]propionic acid Formula: C16H15Cl2NO4S MolecularWeight: 388.2656

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)NC2=C(C=CC(=C2)Cl)CCC(=O)O)Cl

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)NC2=C(C=CC(=C2)Cl)CCC(=O)O)Cl

InChI

InChI=1S/C16H15Cl2NO4S/c1-24(22,23)12-5-6-14(13(18)9-12)19-15-8-11(17)4-2-10(15)3-7-16(20)21/h2,4-6,8-9,19H,3,7H2,1H3,(H,20,21)