methyl 3-[3,5-bis(oxidanylidene)-4-phenethyl-piperazin-1-yl]sulfonyl-4-fluoranyl-1-benzothiophene-2-carboxylate

Systemtic Name: methyl 3-[3,5-bis(oxidanylidene)-4-phenethyl-piperazin-1-yl]sulfonyl-4-fluoranyl-1-benzothiophene-2-carboxylate Openeye Name: methyl 3-(3,5-dioxo-4-phenethyl-piperazin-1-yl)sulfonyl-4-fluoro-benzothiophene-2-carboxylate CAS Name: 3-[(3,5-dioxo-4-phenethyl-1-piperazinyl)sulfonyl]-4-fluoro-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 3-(3,5-dioxo-4-phenethylpiperazin-1-yl)sulfonyl-4-fluoro-1-benzothiophene-2-carboxylate Traditional Name: 3-(3,5-diketo-4-phenethyl-piperazino)sulfonyl-4-fluoro-benzothiophene-2-carboxylic acid methyl ester Formula: C22H19FN2O6S2 MolecularWeight: 490.524463

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C2=C(C=CC=C2S1)F)S(=O)(=O)N3CC(=O)N(C(=O)C3)CCC4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=C(C2=C(C=CC=C2S1)F)S(=O)(=O)N3CC(=O)N(C(=O)C3)CCC4=CC=CC=C4

InChI

InChI=1S/C22H19FN2O6S2/c1-31-22(28)20-21(19-15(23)8-5-9-16(19)32-20)33(29,30)24-12-17(26)25(18(27)13-24)11-10-14-6-3-2-4-7-14/h2-9H,10-13H2,1H3