methyl 2-[[3,5-bis(trifluoromethyl)phenyl]sulfonyl-methyl-amino]benzoate

Systemtic Name: methyl 2-[[3,5-bis(trifluoromethyl)phenyl]sulfonyl-methyl-amino]benzoate Openeye Name: methyl 2-[[3,5-bis(trifluoromethyl)phenyl]sulfonyl-methyl-amino]benzoate CAS Name: 2-[[3,5-bis(trifluoromethyl)phenyl]sulfonyl-methylamino]benzoic acid methyl ester IUPAC Name: methyl 2-[[3,5-bis(trifluoromethyl)phenyl]sulfonyl-methylamino]benzoate Traditional Name: 2-[[3,5-bis(trifluoromethyl)phenyl]sulfonyl-methyl-amino]benzoic acid methyl ester Formula: C17H13F6NO4S MolecularWeight: 441.344839

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC=CC=C1C(=O)OC)S(=O)(=O)C2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F

Isomeric SMILES

CN(C1=CC=CC=C1C(=O)OC)S(=O)(=O)C2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C17H13F6NO4S/c1-24(14-6-4-3-5-13(14)15(25)28-2)29(26,27)12-8-10(16(18,19)20)7-11(9-12)17(21,22)23/h3-9H,1-2H3