(7-fluoranyl-3-methyl-1-benzofuran-2-yl)-[4-(4-methylsulfonyl-2-nitro-phenyl)piperazin-1-yl]methanone

Systemtic Name: (7-fluoranyl-3-methyl-1-benzofuran-2-yl)-[4-(4-methylsulfonyl-2-nitro-phenyl)piperazin-1-yl]methanone Openeye Name: (7-fluoro-3-methyl-benzofuran-2-yl)-[4-(4-methylsulfonyl-2-nitro-phenyl)piperazin-1-yl]methanone CAS Name: (7-fluoro-3-methyl-2-benzofuranyl)-[4-(4-methylsulfonyl-2-nitrophenyl)-1-piperazinyl]methanone IUPAC Name: (7-fluoro-3-methyl-1-benzofuran-2-yl)-[4-(4-methylsulfonyl-2-nitrophenyl)piperazin-1-yl]methanone Traditional Name: (7-fluoro-3-methyl-benzofuran-2-yl)-[4-(4-mesyl-2-nitro-phenyl)piperazino]methanone Formula: C21H20FN3O6S MolecularWeight: 461.463403

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C1C=CC=C2F)C(=O)N3CCN(CC3)C4=C(C=C(C=C4)S(=O)(=O)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(OC2=C1C=CC=C2F)C(=O)N3CCN(CC3)C4=C(C=C(C=C4)S(=O)(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C21H20FN3O6S/c1-13-15-4-3-5-16(22)20(15)31-19(13)21(26)24-10-8-23(9-11-24)17-7-6-14(32(2,29)30)12-18(17)25(27)28/h3-7,12H,8-11H2,1-2H3