(1-cyanoindolizin-2-yl)methyl 4-[[3-(trifluoromethyl)phenyl]sulfonylamino]butanoate

Systemtic Name: (1-cyanoindolizin-2-yl)methyl 4-[[3-(trifluoromethyl)phenyl]sulfonylamino]butanoate Openeye Name: (1-cyanoindolizin-2-yl)methyl 4-[[3-(trifluoromethyl)phenyl]sulfonylamino]butanoate CAS Name: 4-[[3-(trifluoromethyl)phenyl]sulfonylamino]butanoic acid (1-cyano-2-indolizinyl)methyl ester IUPAC Name: (1-cyanoindolizin-2-yl)methyl 4-[[3-(trifluoromethyl)phenyl]sulfonylamino]butanoate Traditional Name: 4-[[3-(trifluoromethyl)phenyl]sulfonylamino]butyric acid (1-cyanoindolizin-2-yl)methyl ester Formula: C21H18F3N3O4S MolecularWeight: 465.44553

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=CN2C=C1)COC(=O)CCCNS(=O)(=O)C3=CC=CC(=C3)C(F)(F)F)C#N

Isomeric SMILES

C1=CC2=C(C(=CN2C=C1)COC(=O)CCCNS(=O)(=O)C3=CC=CC(=C3)C(F)(F)F)C#N

InChI

InChI=1S/C21H18F3N3O4S/c22-21(23,24)16-5-3-6-17(11-16)32(29,30)26-9-4-8-20(28)31-14-15-13-27-10-2-1-7-19(27)18(15)12-25/h1-3,5-7,10-11,13,26H,4,8-9,14H2