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

Systemtic Name: 3-cyanopropyl 3-[prop-2-enyl-[3-(trifluoromethyl)phenyl]sulfamoyl]benzoate Openeye Name: 3-cyanopropyl 3-[allyl-[3-(trifluoromethyl)phenyl]sulfamoyl]benzoate CAS Name: 3-[prop-2-enyl-[3-(trifluoromethyl)phenyl]sulfamoyl]benzoic acid 3-cyanopropyl ester IUPAC Name: 3-cyanopropyl 3-[prop-2-enyl-[3-(trifluoromethyl)phenyl]sulfamoyl]benzoate Traditional Name: 3-[allyl-[3-(trifluoromethyl)phenyl]sulfamoyl]benzoic acid 3-cyanopropyl ester Formula: C21H19F3N2O4S MolecularWeight: 452.44677

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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=CC(=C2)C(=O)OCCCC#N

Isomeric SMILES

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

InChI

InChI=1S/C21H19F3N2O4S/c1-2-12-26(18-9-6-8-17(15-18)21(22,23)24)31(28,29)19-10-5-7-16(14-19)20(27)30-13-4-3-11-25/h2,5-10,14-15H,1,3-4,12-13H2