methyl 5-[4-[2-(2-fluoranylphenoxy)ethyl]piperazin-1-yl]sulfonylthiophene-3-carboxylate

Systemtic Name: methyl 5-[4-[2-(2-fluoranylphenoxy)ethyl]piperazin-1-yl]sulfonylthiophene-3-carboxylate Openeye Name: methyl 5-[4-[2-(2-fluorophenoxy)ethyl]piperazin-1-yl]sulfonylthiophene-3-carboxylate CAS Name: 5-[[4-[2-(2-fluorophenoxy)ethyl]-1-piperazinyl]sulfonyl]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-[4-[2-(2-fluorophenoxy)ethyl]piperazin-1-yl]sulfonylthiophene-3-carboxylate Traditional Name: 5-[4-[2-(2-fluorophenoxy)ethyl]piperazino]sulfonylthiophene-3-carboxylic acid methyl ester Formula: C18H21FN2O5S2 MolecularWeight: 428.498143

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CSC(=C1)S(=O)(=O)N2CCN(CC2)CCOC3=CC=CC=C3F

Isomeric SMILES

COC(=O)C1=CSC(=C1)S(=O)(=O)N2CCN(CC2)CCOC3=CC=CC=C3F

InChI

InChI=1S/C18H21FN2O5S2/c1-25-18(22)14-12-17(27-13-14)28(23,24)21-8-6-20(7-9-21)10-11-26-16-5-3-2-4-15(16)19/h2-5,12-13H,6-11H2,1H3