4-chloranyl-3-[prop-2-enyl-[3-(trifluoromethyl)phenyl]sulfamoyl]benzoic acid

Systemtic Name: 4-chloranyl-3-[prop-2-enyl-[3-(trifluoromethyl)phenyl]sulfamoyl]benzoic acid Openeye Name: 3-[allyl-[3-(trifluoromethyl)phenyl]sulfamoyl]-4-chloro-benzoic acid CAS Name: 4-chloro-3-[prop-2-enyl-[3-(trifluoromethyl)phenyl]sulfamoyl]benzoic acid IUPAC Name: 4-chloro-3-[prop-2-enyl-[3-(trifluoromethyl)phenyl]sulfamoyl]benzoic acid Traditional Name: 3-[allyl-[3-(trifluoromethyl)phenyl]sulfamoyl]-4-chloro-benzoic acid Formula: C17H13ClF3NO4S MolecularWeight: 419.80263

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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)O)Cl

Isomeric SMILES

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

InChI

InChI=1S/C17H13ClF3NO4S/c1-2-8-22(13-5-3-4-12(10-13)17(19,20)21)27(25,26)15-9-11(16(23)24)6-7-14(15)18/h2-7,9-10H,1,8H2,(H,23,24)