(4-cyanophenyl)methyl 3-methyl-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]butanoate

Systemtic Name: (4-cyanophenyl)methyl 3-methyl-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]butanoate Openeye Name: (4-cyanophenyl)methyl 3-methyl-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]butanoate CAS Name: 3-methyl-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]butanoic acid (4-cyanophenyl)methyl ester IUPAC Name: (4-cyanophenyl)methyl 3-methyl-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]butanoate Traditional Name: 3-methyl-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]butyric acid (4-cyanobenzyl) ester Formula: C20H19F3N2O4S MolecularWeight: 440.43607

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC1=CC=C(C=C1)C#N)NS(=O)(=O)C2=CC=CC(=C2)C(F)(F)F

Isomeric SMILES

CC(C)C(C(=O)OCC1=CC=C(C=C1)C#N)NS(=O)(=O)C2=CC=CC(=C2)C(F)(F)F

InChI

InChI=1S/C20H19F3N2O4S/c1-13(2)18(19(26)29-12-15-8-6-14(11-24)7-9-15)25-30(27,28)17-5-3-4-16(10-17)20(21,22)23/h3-10,13,18,25H,12H2,1-2H3