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

Systemtic Name: (phenylmethyl) 2-[[3,5-bis(trifluoromethyl)phenyl]sulfonyl-methyl-amino]ethanoate Openeye Name: benzyl 2-[[3,5-bis(trifluoromethyl)phenyl]sulfonyl-methyl-amino]acetate CAS Name: 2-[[3,5-bis(trifluoromethyl)phenyl]sulfonyl-methylamino]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[[3,5-bis(trifluoromethyl)phenyl]sulfonyl-methylamino]acetate Traditional Name: 2-[[3,5-bis(trifluoromethyl)phenyl]sulfonyl-methyl-amino]acetic acid benzyl ester Formula: C18H15F6NO4S MolecularWeight: 455.371419

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)OCC1=CC=CC=C1)S(=O)(=O)C2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F

Isomeric SMILES

CN(CC(=O)OCC1=CC=CC=C1)S(=O)(=O)C2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C18H15F6NO4S/c1-25(10-16(26)29-11-12-5-3-2-4-6-12)30(27,28)15-8-13(17(19,20)21)7-14(9-15)18(22,23)24/h2-9H,10-11H2,1H3