2-[[4-chloranyl-3-(trifluoromethyl)phenyl]-(4-methylphenyl)sulfonyl-amino]ethanoate

Systemtic Name: 2-[[4-chloranyl-3-(trifluoromethyl)phenyl]-(4-methylphenyl)sulfonyl-amino]ethanoate Openeye Name: 2-[4-chloro-N-(p-tolylsulfonyl)-3-(trifluoromethyl)anilino]acetate CAS Name: 2-[4-chloro-N-(4-methylphenyl)sulfonyl-3-(trifluoromethyl)anilino]acetate IUPAC Name: 2-[4-chloro-N-(4-methylphenyl)sulfonyl-3-(trifluoromethyl)anilino]acetate Traditional Name: 2-[4-chloro-N-tosyl-3-(trifluoromethyl)anilino]acetate Formula: C16H12ClF3NO4S- MolecularWeight: 406.78399

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)[O-])C2=CC(=C(C=C2)Cl)C(F)(F)F

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)[O-])C2=CC(=C(C=C2)Cl)C(F)(F)F

InChI

InChI=1S/C16H13ClF3NO4S/c1-10-2-5-12(6-3-10)26(24,25)21(9-15(22)23)11-4-7-14(17)13(8-11)16(18,19)20/h2-8H,9H2,1H3,(H,22,23)/p-1