(phenylmethyl) 4-[[3-(trifluoromethyl)phenyl]sulfonylamino]butanoate

Systemtic Name: (phenylmethyl) 4-[[3-(trifluoromethyl)phenyl]sulfonylamino]butanoate Openeye Name: benzyl 4-[[3-(trifluoromethyl)phenyl]sulfonylamino]butanoate CAS Name: 4-[[3-(trifluoromethyl)phenyl]sulfonylamino]butanoic acid (phenylmethyl) ester IUPAC Name: benzyl 4-[[3-(trifluoromethyl)phenyl]sulfonylamino]butanoate Traditional Name: 4-[[3-(trifluoromethyl)phenyl]sulfonylamino]butyric acid benzyl ester Formula: C18H18F3NO4S MolecularWeight: 401.40003

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)CCCNS(=O)(=O)C2=CC=CC(=C2)C(F)(F)F

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)CCCNS(=O)(=O)C2=CC=CC(=C2)C(F)(F)F

InChI

InChI=1S/C18H18F3NO4S/c19-18(20,21)15-8-4-9-16(12-15)27(24,25)22-11-5-10-17(23)26-13-14-6-2-1-3-7-14/h1-4,6-9,12,22H,5,10-11,13H2