methyl 5-[4-(2-chloranyl-6-fluoranyl-phenyl)carbonylpiperazin-1-yl]sulfonylthiophene-3-carboxylate

Systemtic Name: methyl 5-[4-(2-chloranyl-6-fluoranyl-phenyl)carbonylpiperazin-1-yl]sulfonylthiophene-3-carboxylate Openeye Name: methyl 5-[4-(2-chloro-6-fluoro-benzoyl)piperazin-1-yl]sulfonylthiophene-3-carboxylate CAS Name: 5-[[4-[(2-chloro-6-fluorophenyl)-oxomethyl]-1-piperazinyl]sulfonyl]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-[4-(2-chloro-6-fluorobenzoyl)piperazin-1-yl]sulfonylthiophene-3-carboxylate Traditional Name: 5-[4-(2-chloro-6-fluoro-benzoyl)piperazino]sulfonylthiophene-3-carboxylic acid methyl ester Formula: C17H16ClFN2O5S2 MolecularWeight: 446.900743

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CSC(=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=C(C=CC=C3Cl)F

Isomeric SMILES

COC(=O)C1=CSC(=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=C(C=CC=C3Cl)F

InChI

InChI=1S/C17H16ClFN2O5S2/c1-26-17(23)11-9-14(27-10-11)28(24,25)21-7-5-20(6-8-21)16(22)15-12(18)3-2-4-13(15)19/h2-4,9-10H,5-8H2,1H3