methyl 3-[4-(4-fluorophenyl)carbonylpiperazin-1-yl]sulfonylthiophene-2-carboxylate

Systemtic Name: methyl 3-[4-(4-fluorophenyl)carbonylpiperazin-1-yl]sulfonylthiophene-2-carboxylate Openeye Name: methyl 3-[4-(4-fluorobenzoyl)piperazin-1-yl]sulfonylthiophene-2-carboxylate CAS Name: 3-[[4-[(4-fluorophenyl)-oxomethyl]-1-piperazinyl]sulfonyl]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-[4-(4-fluorobenzoyl)piperazin-1-yl]sulfonylthiophene-2-carboxylate Traditional Name: 3-[4-(4-fluorobenzoyl)piperazino]sulfonylthiophene-2-carboxylic acid methyl ester Formula: C17H17FN2O5S2 MolecularWeight: 412.455683

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CS1)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC=C(C=C3)F

Isomeric SMILES

COC(=O)C1=C(C=CS1)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C17H17FN2O5S2/c1-25-17(22)15-14(6-11-26-15)27(23,24)20-9-7-19(8-10-20)16(21)12-2-4-13(18)5-3-12/h2-6,11H,7-10H2,1H3