1-[4-[4-[(4-fluoranyl-1-benzothiophen-2-yl)carbonyl]piperazin-1-yl]sulfonylphenyl]ethanone

Systemtic Name: 1-[4-[4-[(4-fluoranyl-1-benzothiophen-2-yl)carbonyl]piperazin-1-yl]sulfonylphenyl]ethanone Openeye Name: 1-[4-[4-(4-fluorobenzothiophene-2-carbonyl)piperazin-1-yl]sulfonylphenyl]ethanone CAS Name: 1-[4-[[4-[(4-fluoro-1-benzothiophen-2-yl)-oxomethyl]-1-piperazinyl]sulfonyl]phenyl]ethanone IUPAC Name: 1-[4-[4-(4-fluoro-1-benzothiophene-2-carbonyl)piperazin-1-yl]sulfonylphenyl]ethanone Traditional Name: 1-[4-[4-(4-fluorobenzothiophene-2-carbonyl)piperazino]sulfonylphenyl]ethanone Formula: C21H19FN2O4S2 MolecularWeight: 446.514963

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC4=C(C=CC=C4S3)F

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC4=C(C=CC=C4S3)F

InChI

InChI=1S/C21H19FN2O4S2/c1-14(25)15-5-7-16(8-6-15)30(27,28)24-11-9-23(10-12-24)21(26)20-13-17-18(22)3-2-4-19(17)29-20/h2-8,13H,9-12H2,1H3