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

Systemtic Name: methyl 5-[4-[2-(4-fluoranylphenoxy)propanoyl]piperazin-1-yl]sulfonylthiophene-3-carboxylate Openeye Name: methyl 5-[4-[2-(4-fluorophenoxy)propanoyl]piperazin-1-yl]sulfonylthiophene-3-carboxylate CAS Name: 5-[[4-[2-(4-fluorophenoxy)-1-oxopropyl]-1-piperazinyl]sulfonyl]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-[4-[2-(4-fluorophenoxy)propanoyl]piperazin-1-yl]sulfonylthiophene-3-carboxylate Traditional Name: 5-[4-[2-(4-fluorophenoxy)propanoyl]piperazino]sulfonylthiophene-3-carboxylic acid methyl ester Formula: C19H21FN2O6S2 MolecularWeight: 456.508243

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCN(CC1)S(=O)(=O)C2=CC(=CS2)C(=O)OC)OC3=CC=C(C=C3)F

Isomeric SMILES

CC(C(=O)N1CCN(CC1)S(=O)(=O)C2=CC(=CS2)C(=O)OC)OC3=CC=C(C=C3)F

InChI

InChI=1S/C19H21FN2O6S2/c1-13(28-16-5-3-15(20)4-6-16)18(23)21-7-9-22(10-8-21)30(25,26)17-11-14(12-29-17)19(24)27-2/h3-6,11-13H,7-10H2,1-2H3