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

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

Systemtic Name:1-cyanoethyl 3-[prop-2-enyl-[3-(trifluoromethyl)phenyl]sulfamoyl]benzoate
Openeye Name:1-cyanoethyl 3-[allyl-[3-(trifluoromethyl)phenyl]sulfamoyl]benzoate
CAS Name:3-[prop-2-enyl-[3-(trifluoromethyl)phenyl]sulfamoyl]benzoic acid 1-cyanoethyl ester
IUPAC Name:1-cyanoethyl 3-[prop-2-enyl-[3-(trifluoromethyl)phenyl]sulfamoyl]benzoate
Traditional Name:3-[allyl-[3-(trifluoromethyl)phenyl]sulfamoyl]benzoic acid 1-cyanoethyl ester
Formula: C20H17F3N2O4S
MolecularWeight: 438.42019
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C20H17F3N2O4S/c1-3-10-25(17-8-5-7-16(12-17)20(21,22)23)30(27,28)18-9-4-6-15(11-18)19(26)29-14(2)13-24/h3-9,11-12,14H,1,10H2,2H3


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