2-[3-(trifluoromethyl)phenyl]sulfanylethyl 4-methoxy-3-sulfamoyl-benzoate

Systemtic Name: 2-[3-(trifluoromethyl)phenyl]sulfanylethyl 4-methoxy-3-sulfamoyl-benzoate Openeye Name: 2-[3-(trifluoromethyl)phenyl]sulfanylethyl 4-methoxy-3-sulfamoyl-benzoate CAS Name: 4-methoxy-3-sulfamoylbenzoic acid 2-[[3-(trifluoromethyl)phenyl]thio]ethyl ester IUPAC Name: 2-[3-(trifluoromethyl)phenyl]sulfanylethyl 4-methoxy-3-sulfamoylbenzoate Traditional Name: 4-methoxy-3-sulfamoyl-benzoic acid 2-[[3-(trifluoromethyl)phenyl]thio]ethyl ester Formula: C17H16F3NO5S2 MolecularWeight: 435.43785

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)OCCSC2=CC=CC(=C2)C(F)(F)F)S(=O)(=O)N

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)OCCSC2=CC=CC(=C2)C(F)(F)F)S(=O)(=O)N

InChI

InChI=1S/C17H16F3NO5S2/c1-25-14-6-5-11(9-15(14)28(21,23)24)16(22)26-7-8-27-13-4-2-3-12(10-13)17(18,19)20/h2-6,9-10H,7-8H2,1H3,(H2,21,23,24)