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

Systemtic Name: (5-chloranyl-3-methyl-1-benzofuran-2-yl)-[4-(4-methylsulfonyl-2-nitro-phenyl)piperazin-1-yl]methanone Openeye Name: (5-chloro-3-methyl-benzofuran-2-yl)-[4-(4-methylsulfonyl-2-nitro-phenyl)piperazin-1-yl]methanone CAS Name: (5-chloro-3-methyl-2-benzofuranyl)-[4-(4-methylsulfonyl-2-nitrophenyl)-1-piperazinyl]methanone IUPAC Name: (5-chloro-3-methyl-1-benzofuran-2-yl)-[4-(4-methylsulfonyl-2-nitrophenyl)piperazin-1-yl]methanone Traditional Name: (5-chloro-3-methyl-benzofuran-2-yl)-[4-(4-mesyl-2-nitro-phenyl)piperazino]methanone Formula: C21H20ClN3O6S MolecularWeight: 477.918

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C1C=C(C=C2)Cl)C(=O)N3CCN(CC3)C4=C(C=C(C=C4)S(=O)(=O)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(OC2=C1C=C(C=C2)Cl)C(=O)N3CCN(CC3)C4=C(C=C(C=C4)S(=O)(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C21H20ClN3O6S/c1-13-16-11-14(22)3-6-19(16)31-20(13)21(26)24-9-7-23(8-10-24)17-5-4-15(32(2,29)30)12-18(17)25(27)28/h3-6,11-12H,7-10H2,1-2H3