2-[[4-chloranyl-2-(2-chloranyl-4-ethylsulfonyl-phenyl)sulfanyl-phenyl]amino]ethanoic acid

Systemtic Name: 2-[[4-chloranyl-2-(2-chloranyl-4-ethylsulfonyl-phenyl)sulfanyl-phenyl]amino]ethanoic acid Openeye Name: 2-[4-chloro-2-(2-chloro-4-ethylsulfonyl-phenyl)sulfanyl-anilino]acetic acid CAS Name: 2-[4-chloro-2-[(2-chloro-4-ethylsulfonylphenyl)thio]anilino]acetic acid IUPAC Name: 2-[4-chloro-2-(2-chloro-4-ethylsulfonylphenyl)sulfanylanilino]acetic acid Traditional Name: 2-[4-chloro-2-[(2-chloro-4-esyl-phenyl)thio]anilino]acetic acid Formula: C16H15Cl2NO4S2 MolecularWeight: 420.3306

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=CC(=C(C=C1)SC2=C(C=CC(=C2)Cl)NCC(=O)O)Cl

Isomeric SMILES

CCS(=O)(=O)C1=CC(=C(C=C1)SC2=C(C=CC(=C2)Cl)NCC(=O)O)Cl

InChI

InChI=1S/C16H15Cl2NO4S2/c1-2-25(22,23)11-4-6-14(12(18)8-11)24-15-7-10(17)3-5-13(15)19-9-16(20)21/h3-8,19H,2,9H2,1H3,(H,20,21)