2-(5,6-dimethyl-1-benzofuran-3-yl)-1-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]ethanone

Systemtic Name: 2-(5,6-dimethyl-1-benzofuran-3-yl)-1-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]ethanone Openeye Name: 2-(5,6-dimethylbenzofuran-3-yl)-1-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]ethanone CAS Name: 2-(5,6-dimethyl-3-benzofuranyl)-1-[4-(3-fluorophenyl)sulfonyl-1-piperazinyl]ethanone IUPAC Name: 2-(5,6-dimethyl-1-benzofuran-3-yl)-1-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]ethanone Traditional Name: 2-(5,6-dimethylbenzofuran-3-yl)-1-[4-(3-fluorophenyl)sulfonylpiperazino]ethanone Formula: C22H23FN2O4S MolecularWeight: 430.492423

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C(=CO2)CC(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CC(=C4)F)C

Isomeric SMILES

CC1=C(C=C2C(=C1)C(=CO2)CC(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CC(=C4)F)C

InChI

InChI=1S/C22H23FN2O4S/c1-15-10-20-17(14-29-21(20)11-16(15)2)12-22(26)24-6-8-25(9-7-24)30(27,28)19-5-3-4-18(23)13-19/h3-5,10-11,13-14H,6-9,12H2,1-2H3