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

Systemtic Name: 2-(6-methoxy-1-benzofuran-3-yl)-1-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]ethanone Openeye Name: 2-(6-methoxybenzofuran-3-yl)-1-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]ethanone CAS Name: 2-(6-methoxy-3-benzofuranyl)-1-[4-(2-nitrophenyl)sulfonyl-1-piperazinyl]ethanone IUPAC Name: 2-(6-methoxy-1-benzofuran-3-yl)-1-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]ethanone Traditional Name: 2-(6-methoxybenzofuran-3-yl)-1-[4-(2-nitrophenyl)sulfonylpiperazino]ethanone Formula: C21H21N3O7S MolecularWeight: 459.47234

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=CO2)CC(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4[N+](=O)[O-]

Isomeric SMILES

COC1=CC2=C(C=C1)C(=CO2)CC(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4[N+](=O)[O-]

InChI

InChI=1S/C21H21N3O7S/c1-30-16-6-7-17-15(14-31-19(17)13-16)12-21(25)22-8-10-23(11-9-22)32(28,29)20-5-3-2-4-18(20)24(26)27/h2-7,13-14H,8-12H2,1H3