3-cyanopropyl 2-chloranyl-5-[prop-2-enyl-[3-(trifluoromethyl)phenyl]sulfamoyl]benzoate

Systemtic Name: 3-cyanopropyl 2-chloranyl-5-[prop-2-enyl-[3-(trifluoromethyl)phenyl]sulfamoyl]benzoate Openeye Name: 3-cyanopropyl 5-[allyl-[3-(trifluoromethyl)phenyl]sulfamoyl]-2-chloro-benzoate CAS Name: 2-chloro-5-[prop-2-enyl-[3-(trifluoromethyl)phenyl]sulfamoyl]benzoic acid 3-cyanopropyl ester IUPAC Name: 3-cyanopropyl 2-chloro-5-[prop-2-enyl-[3-(trifluoromethyl)phenyl]sulfamoyl]benzoate Traditional Name: 5-[allyl-[3-(trifluoromethyl)phenyl]sulfamoyl]-2-chloro-benzoic acid 3-cyanopropyl ester Formula: C21H18ClF3N2O4S MolecularWeight: 486.89183

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN(C1=CC=CC(=C1)C(F)(F)F)S(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)OCCCC#N

Isomeric SMILES

C=CCN(C1=CC=CC(=C1)C(F)(F)F)S(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)OCCCC#N

InChI

InChI=1S/C21H18ClF3N2O4S/c1-2-11-27(16-7-5-6-15(13-16)21(23,24)25)32(29,30)17-8-9-19(22)18(14-17)20(28)31-12-4-3-10-26/h2,5-9,13-14H,1,3-4,11-12H2