methyl 2-[2-[[4-chloranyl-3-(trifluoromethyl)phenyl]-methylsulfonyl-amino]ethanoylamino]benzoate

Systemtic Name: methyl 2-[2-[[4-chloranyl-3-(trifluoromethyl)phenyl]-methylsulfonyl-amino]ethanoylamino]benzoate Openeye Name: methyl 2-[[2-[4-chloro-N-methylsulfonyl-3-(trifluoromethyl)anilino]acetyl]amino]benzoate CAS Name: 2-[[2-[4-chloro-N-methylsulfonyl-3-(trifluoromethyl)anilino]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[2-[4-chloro-N-methylsulfonyl-3-(trifluoromethyl)anilino]acetyl]amino]benzoate Traditional Name: 2-[[2-[4-chloro-N-mesyl-3-(trifluoromethyl)anilino]acetyl]amino]benzoic acid methyl ester Formula: C18H16ClF3N2O5S MolecularWeight: 464.84325

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1NC(=O)CN(C2=CC(=C(C=C2)Cl)C(F)(F)F)S(=O)(=O)C

Isomeric SMILES

COC(=O)C1=CC=CC=C1NC(=O)CN(C2=CC(=C(C=C2)Cl)C(F)(F)F)S(=O)(=O)C

InChI

InChI=1S/C18H16ClF3N2O5S/c1-29-17(26)12-5-3-4-6-15(12)23-16(25)10-24(30(2,27)28)11-7-8-14(19)13(9-11)18(20,21)22/h3-9H,10H2,1-2H3,(H,23,25)