1-[4-[4-[(3-chloranyl-6-fluoranyl-1-benzothiophen-2-yl)carbonyl]piperazin-1-yl]sulfonylphenyl]ethanone

Systemtic Name: 1-[4-[4-[(3-chloranyl-6-fluoranyl-1-benzothiophen-2-yl)carbonyl]piperazin-1-yl]sulfonylphenyl]ethanone Openeye Name: 1-[4-[4-(3-chloro-6-fluoro-benzothiophene-2-carbonyl)piperazin-1-yl]sulfonylphenyl]ethanone CAS Name: 1-[4-[[4-[(3-chloro-6-fluoro-1-benzothiophen-2-yl)-oxomethyl]-1-piperazinyl]sulfonyl]phenyl]ethanone IUPAC Name: 1-[4-[4-(3-chloro-6-fluoro-1-benzothiophene-2-carbonyl)piperazin-1-yl]sulfonylphenyl]ethanone Traditional Name: 1-[4-[4-(3-chloro-6-fluoro-benzothiophene-2-carbonyl)piperazino]sulfonylphenyl]ethanone Formula: C21H18ClFN2O4S2 MolecularWeight: 480.960023

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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=C(C4=C(S3)C=C(C=C4)F)Cl

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=C(C4=C(S3)C=C(C=C4)F)Cl

InChI

InChI=1S/C21H18ClFN2O4S2/c1-13(26)14-2-5-16(6-3-14)31(28,29)25-10-8-24(9-11-25)21(27)20-19(22)17-7-4-15(23)12-18(17)30-20/h2-7,12H,8-11H2,1H3