3-cyanopropyl 4-chloranyl-3-[prop-2-enyl-[3-(trifluoromethyl)phenyl]sulfamoyl]benzoate

Systemtic Name: 3-cyanopropyl 4-chloranyl-3-[prop-2-enyl-[3-(trifluoromethyl)phenyl]sulfamoyl]benzoate Openeye Name: 3-cyanopropyl 3-[allyl-[3-(trifluoromethyl)phenyl]sulfamoyl]-4-chloro-benzoate CAS Name: 4-chloro-3-[prop-2-enyl-[3-(trifluoromethyl)phenyl]sulfamoyl]benzoic acid 3-cyanopropyl ester IUPAC Name: 3-cyanopropyl 4-chloro-3-[prop-2-enyl-[3-(trifluoromethyl)phenyl]sulfamoyl]benzoate Traditional Name: 3-[allyl-[3-(trifluoromethyl)phenyl]sulfamoyl]-4-chloro-benzoic acid 3-cyanopropyl ester Formula: C21H18ClF3N2O4S MolecularWeight: 486.89183

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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