methyl 5-chloranyl-3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-thiophene-2-carboxylate

Systemtic Name: methyl 5-chloranyl-3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-thiophene-2-carboxylate Openeye Name: methyl 5-chloro-3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-thiophene-2-carboxylate CAS Name: 5-chloro-3-[[4-(4-fluorophenyl)-1-piperazinyl]sulfonyl]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-chloro-3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylthiophene-2-carboxylate Traditional Name: 5-chloro-3-[4-(4-fluorophenyl)piperazino]sulfonyl-thiophene-2-carboxylic acid methyl ester Formula: C16H16ClFN2O4S2 MolecularWeight: 418.890643

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=C(S1)Cl)S(=O)(=O)N2CCN(CC2)C3=CC=C(C=C3)F

Isomeric SMILES

COC(=O)C1=C(C=C(S1)Cl)S(=O)(=O)N2CCN(CC2)C3=CC=C(C=C3)F

InChI

InChI=1S/C16H16ClFN2O4S2/c1-24-16(21)15-13(10-14(17)25-15)26(22,23)20-8-6-19(7-9-20)12-4-2-11(18)3-5-12/h2-5,10H,6-9H2,1H3