2-(6-methyl-1-benzofuran-3-yl)-1-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]ethanone

Systemtic Name: 2-(6-methyl-1-benzofuran-3-yl)-1-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]ethanone Openeye Name: 2-(6-methylbenzofuran-3-yl)-1-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]ethanone CAS Name: 2-(6-methyl-3-benzofuranyl)-1-[4-(2-nitrophenyl)sulfonyl-1-piperazinyl]ethanone IUPAC Name: 2-(6-methyl-1-benzofuran-3-yl)-1-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]ethanone Traditional Name: 2-(6-methylbenzofuran-3-yl)-1-[4-(2-nitrophenyl)sulfonylpiperazino]ethanone Formula: C21H21N3O6S MolecularWeight: 443.47294

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=CO2)CC(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4[N+](=O)[O-]

Isomeric SMILES

CC1=CC2=C(C=C1)C(=CO2)CC(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4[N+](=O)[O-]

InChI

InChI=1S/C21H21N3O6S/c1-15-6-7-17-16(14-30-19(17)12-15)13-21(25)22-8-10-23(11-9-22)31(28,29)20-5-3-2-4-18(20)24(26)27/h2-7,12,14H,8-11,13H2,1H3