ethyl 3-[[[3-(dimethylsulfamoyl)phenyl]amino]methyl]-4-fluoranyl-1-benzothiophene-2-carboxylate

Systemtic Name: ethyl 3-[[[3-(dimethylsulfamoyl)phenyl]amino]methyl]-4-fluoranyl-1-benzothiophene-2-carboxylate Openeye Name: ethyl 3-[[3-(dimethylsulfamoyl)anilino]methyl]-4-fluoro-benzothiophene-2-carboxylate CAS Name: 3-[[3-(dimethylsulfamoyl)anilino]methyl]-4-fluoro-1-benzothiophene-2-carboxylic acid ethyl ester IUPAC Name: ethyl 3-[[3-(dimethylsulfamoyl)anilino]methyl]-4-fluoro-1-benzothiophene-2-carboxylate Traditional Name: 3-[[3-(dimethylsulfamoyl)anilino]methyl]-4-fluoro-benzothiophene-2-carboxylic acid ethyl ester Formula: C20H21FN2O4S2 MolecularWeight: 436.520143

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(C=CC=C2S1)F)CNC3=CC(=CC=C3)S(=O)(=O)N(C)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(C=CC=C2S1)F)CNC3=CC(=CC=C3)S(=O)(=O)N(C)C

InChI

InChI=1S/C20H21FN2O4S2/c1-4-27-20(24)19-15(18-16(21)9-6-10-17(18)28-19)12-22-13-7-5-8-14(11-13)29(25,26)23(2)3/h5-11,22H,4,12H2,1-3H3