(5-fluoranyl-3-methyl-1-benzofuran-2-yl)-[4-(phenylmethyl)sulfonylpiperazin-1-yl]methanone

Systemtic Name: (5-fluoranyl-3-methyl-1-benzofuran-2-yl)-[4-(phenylmethyl)sulfonylpiperazin-1-yl]methanone Openeye Name: (4-benzylsulfonylpiperazin-1-yl)-(5-fluoro-3-methyl-benzofuran-2-yl)methanone CAS Name: (5-fluoro-3-methyl-2-benzofuranyl)-[4-(phenylmethyl)sulfonyl-1-piperazinyl]methanone IUPAC Name: (4-benzylsulfonylpiperazin-1-yl)-(5-fluoro-3-methyl-1-benzofuran-2-yl)methanone Traditional Name: (4-benzylsulfonylpiperazino)-(5-fluoro-3-methyl-benzofuran-2-yl)methanone Formula: C21H21FN2O4S MolecularWeight: 416.465843

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C1C=C(C=C2)F)C(=O)N3CCN(CC3)S(=O)(=O)CC4=CC=CC=C4

Isomeric SMILES

CC1=C(OC2=C1C=C(C=C2)F)C(=O)N3CCN(CC3)S(=O)(=O)CC4=CC=CC=C4

InChI

InChI=1S/C21H21FN2O4S/c1-15-18-13-17(22)7-8-19(18)28-20(15)21(25)23-9-11-24(12-10-23)29(26,27)14-16-5-3-2-4-6-16/h2-8,13H,9-12,14H2,1H3