[2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl] 3-chloranyl-6-fluoranyl-1-benzothiophene-2-carboxylate

Systemtic Name: [2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl] 3-chloranyl-6-fluoranyl-1-benzothiophene-2-carboxylate Openeye Name: [2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-oxo-ethyl] 3-chloro-6-fluoro-benzothiophene-2-carboxylate CAS Name: 3-chloro-6-fluoro-1-benzothiophene-2-carboxylic acid [2-[4-(4-chlorophenyl)sulfonyl-1-piperazinyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl] 3-chloro-6-fluoro-1-benzothiophene-2-carboxylate Traditional Name: 3-chloro-6-fluoro-benzothiophene-2-carboxylic acid [2-[4-(4-chlorophenyl)sulfonylpiperazino]-2-keto-ethyl] ester Formula: C21H17Cl2FN2O5S2 MolecularWeight: 531.404483

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)COC(=O)C2=C(C3=C(S2)C=C(C=C3)F)Cl)S(=O)(=O)C4=CC=C(C=C4)Cl

Isomeric SMILES

C1CN(CCN1C(=O)COC(=O)C2=C(C3=C(S2)C=C(C=C3)F)Cl)S(=O)(=O)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C21H17Cl2FN2O5S2/c22-13-1-4-15(5-2-13)33(29,30)26-9-7-25(8-10-26)18(27)12-31-21(28)20-19(23)16-6-3-14(24)11-17(16)32-20/h1-6,11H,7-10,12H2