methyl 4-[[2-[prop-2-enyl-[2-(trifluoromethyl)phenyl]sulfonyl-amino]ethanoylamino]methyl]benzoate

Systemtic Name: methyl 4-[[2-[prop-2-enyl-[2-(trifluoromethyl)phenyl]sulfonyl-amino]ethanoylamino]methyl]benzoate Openeye Name: methyl 4-[[[2-[allyl-[2-(trifluoromethyl)phenyl]sulfonyl-amino]acetyl]amino]methyl]benzoate CAS Name: 4-[[[1-oxo-2-[prop-2-enyl-[2-(trifluoromethyl)phenyl]sulfonylamino]ethyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[[2-[prop-2-enyl-[2-(trifluoromethyl)phenyl]sulfonylamino]acetyl]amino]methyl]benzoate Traditional Name: 4-[[[2-[allyl-[2-(trifluoromethyl)phenyl]sulfonyl-amino]acetyl]amino]methyl]benzoic acid methyl ester Formula: C21H21F3N2O5S MolecularWeight: 470.46205

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CNC(=O)CN(CC=C)S(=O)(=O)C2=CC=CC=C2C(F)(F)F

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CNC(=O)CN(CC=C)S(=O)(=O)C2=CC=CC=C2C(F)(F)F

InChI

InChI=1S/C21H21F3N2O5S/c1-3-12-26(32(29,30)18-7-5-4-6-17(18)21(22,23)24)14-19(27)25-13-15-8-10-16(11-9-15)20(28)31-2/h3-11H,1,12-14H2,2H3,(H,25,27)