[2-oxidanylidene-2-[4-(phenylsulfonyl)piperazin-1-yl]ethyl] 5-fluoranyl-1-benzothiophene-2-carboxylate

Systemtic Name: [2-oxidanylidene-2-[4-(phenylsulfonyl)piperazin-1-yl]ethyl] 5-fluoranyl-1-benzothiophene-2-carboxylate Openeye Name: [2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxo-ethyl] 5-fluorobenzothiophene-2-carboxylate CAS Name: 5-fluoro-1-benzothiophene-2-carboxylic acid [2-[4-(benzenesulfonyl)-1-piperazinyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxoethyl] 5-fluoro-1-benzothiophene-2-carboxylate Traditional Name: 5-fluorobenzothiophene-2-carboxylic acid [2-(4-besylpiperazino)-2-keto-ethyl] ester Formula: C21H19FN2O5S2 MolecularWeight: 462.514363

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)COC(=O)C2=CC3=C(S2)C=CC(=C3)F)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1C(=O)COC(=O)C2=CC3=C(S2)C=CC(=C3)F)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C21H19FN2O5S2/c22-16-6-7-18-15(12-16)13-19(30-18)21(26)29-14-20(25)23-8-10-24(11-9-23)31(27,28)17-4-2-1-3-5-17/h1-7,12-13H,8-11,14H2