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

Systemtic Name: [2-oxidanylidene-2-[4-(phenylsulfonyl)piperazin-1-yl]ethyl] 3-chloranyl-6-fluoranyl-1-benzothiophene-2-carboxylate Openeye Name: [2-[4-(benzenesulfonyl)piperazin-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-(benzenesulfonyl)-1-piperazinyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxoethyl] 3-chloro-6-fluoro-1-benzothiophene-2-carboxylate Traditional Name: 3-chloro-6-fluoro-benzothiophene-2-carboxylic acid [2-(4-besylpiperazino)-2-keto-ethyl] ester Formula: C21H18ClFN2O5S2 MolecularWeight: 496.959423

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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=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C21H18ClFN2O5S2/c22-19-16-7-6-14(23)12-17(16)31-20(19)21(27)30-13-18(26)24-8-10-25(11-9-24)32(28,29)15-4-2-1-3-5-15/h1-7,12H,8-11,13H2