[2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-2-oxidanylidene-ethyl] 5-sulfamoylthiophene-3-carboxylate

Systemtic Name: [2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-2-oxidanylidene-ethyl] 5-sulfamoylthiophene-3-carboxylate Openeye Name: [2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-2-oxo-ethyl] 5-sulfamoylthiophene-3-carboxylate CAS Name: 5-sulfamoyl-3-thiophenecarboxylic acid [2-[4-[(2-fluorophenyl)methyl]-1-piperazinyl]-2-oxoethyl] ester IUPAC Name: [2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-2-oxoethyl] 5-sulfamoylthiophene-3-carboxylate Traditional Name: 5-sulfamoylthiophene-3-carboxylic acid [2-[4-(2-fluorobenzyl)piperazino]-2-keto-ethyl] ester Formula: C18H20FN3O5S2 MolecularWeight: 441.496903

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2F)C(=O)COC(=O)C3=CSC(=C3)S(=O)(=O)N

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2F)C(=O)COC(=O)C3=CSC(=C3)S(=O)(=O)N

InChI

InChI=1S/C18H20FN3O5S2/c19-15-4-2-1-3-13(15)10-21-5-7-22(8-6-21)16(23)11-27-18(24)14-9-17(28-12-14)29(20,25)26/h1-4,9,12H,5-8,10-11H2,(H2,20,25,26)