methyl 3-[(4-dimethylaminophenyl)sulfamoyl]-4-fluoranyl-1-benzothiophene-2-carboxylate

Systemtic Name: methyl 3-[(4-dimethylaminophenyl)sulfamoyl]-4-fluoranyl-1-benzothiophene-2-carboxylate Openeye Name: methyl 3-[(4-dimethylaminophenyl)sulfamoyl]-4-fluoro-benzothiophene-2-carboxylate CAS Name: 3-[(4-dimethylaminophenyl)sulfamoyl]-4-fluoro-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 3-[(4-dimethylaminophenyl)sulfamoyl]-4-fluoro-1-benzothiophene-2-carboxylate Traditional Name: 3-[(4-dimethylaminophenyl)sulfamoyl]-4-fluoro-benzothiophene-2-carboxylic acid methyl ester Formula: C18H17FN2O4S2 MolecularWeight: 408.466983

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)NS(=O)(=O)C2=C(SC3=CC=CC(=C32)F)C(=O)OC

Isomeric SMILES

CN(C)C1=CC=C(C=C1)NS(=O)(=O)C2=C(SC3=CC=CC(=C32)F)C(=O)OC

InChI

InChI=1S/C18H17FN2O4S2/c1-21(2)12-9-7-11(8-10-12)20-27(23,24)17-15-13(19)5-4-6-14(15)26-16(17)18(22)25-3/h4-10,20H,1-3H3