(7-fluoranyl-3-methyl-1-benzofuran-2-yl)-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methanone

Systemtic Name: (7-fluoranyl-3-methyl-1-benzofuran-2-yl)-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methanone Openeye Name: (7-fluoro-3-methyl-benzofuran-2-yl)-[4-(p-tolylsulfonyl)piperazin-1-yl]methanone CAS Name: (7-fluoro-3-methyl-2-benzofuranyl)-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]methanone IUPAC Name: (7-fluoro-3-methyl-1-benzofuran-2-yl)-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methanone Traditional Name: (7-fluoro-3-methyl-benzofuran-2-yl)-(4-tosylpiperazino)methanone Formula: C21H21FN2O4S MolecularWeight: 416.465843

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=C(C4=C(O3)C(=CC=C4)F)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=C(C4=C(O3)C(=CC=C4)F)C

InChI

InChI=1S/C21H21FN2O4S/c1-14-6-8-16(9-7-14)29(26,27)24-12-10-23(11-13-24)21(25)19-15(2)17-4-3-5-18(22)20(17)28-19/h3-9H,10-13H2,1-2H3