2-(5,6-dimethyl-1-benzofuran-3-yl)-1-[4-(4-nitrophenyl)sulfonylpiperazin-1-yl]ethanone

Systemtic Name: 2-(5,6-dimethyl-1-benzofuran-3-yl)-1-[4-(4-nitrophenyl)sulfonylpiperazin-1-yl]ethanone Openeye Name: 2-(5,6-dimethylbenzofuran-3-yl)-1-[4-(4-nitrophenyl)sulfonylpiperazin-1-yl]ethanone CAS Name: 2-(5,6-dimethyl-3-benzofuranyl)-1-[4-(4-nitrophenyl)sulfonyl-1-piperazinyl]ethanone IUPAC Name: 2-(5,6-dimethyl-1-benzofuran-3-yl)-1-[4-(4-nitrophenyl)sulfonylpiperazin-1-yl]ethanone Traditional Name: 2-(5,6-dimethylbenzofuran-3-yl)-1-(4-nosylpiperazino)ethanone Formula: C22H23N3O6S MolecularWeight: 457.49952

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C(=CO2)CC(=O)N3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)[N+](=O)[O-])C

Isomeric SMILES

CC1=C(C=C2C(=C1)C(=CO2)CC(=O)N3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)[N+](=O)[O-])C

InChI

InChI=1S/C22H23N3O6S/c1-15-11-20-17(14-31-21(20)12-16(15)2)13-22(26)23-7-9-24(10-8-23)32(29,30)19-5-3-18(4-6-19)25(27)28/h3-6,11-12,14H,7-10,13H2,1-2H3