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

Systemtic Name: 3-[4-chloranyl-2-[(2-chloranyl-4-ethylsulfonyl-phenyl)amino]phenyl]propanoic acid Openeye Name: 3-[4-chloro-2-(2-chloro-4-ethylsulfonyl-anilino)phenyl]propanoic acid CAS Name: 3-[4-chloro-2-(2-chloro-4-ethylsulfonylanilino)phenyl]propanoic acid IUPAC Name: 3-[4-chloro-2-(2-chloro-4-ethylsulfonylanilino)phenyl]propanoic acid Traditional Name: 3-[4-chloro-2-(2-chloro-4-esyl-anilino)phenyl]propionic acid Formula: C17H17Cl2NO4S MolecularWeight: 402.29218

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17Cl2NO4S/c1-2-25(23,24)13-6-7-15(14(19)10-13)20-16-9-12(18)5-3-11(16)4-8-17(21)22/h3,5-7,9-10,20H,2,4,8H2,1H3,(H,21,22)