2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-1-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]ethanone

Systemtic Name: 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-1-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]ethanone Openeye Name: 2-[(2,2-dimethyl-3H-benzofuran-7-yl)oxy]-1-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]ethanone CAS Name: 2-[(2,2-dimethyl-3H-benzofuran-7-yl)oxy]-1-[4-(2-nitrophenyl)sulfonyl-1-piperazinyl]ethanone IUPAC Name: 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-1-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]ethanone Traditional Name: 2-(2,2-dimethylcoumaran-7-yl)oxy-1-[4-(2-nitrophenyl)sulfonylpiperazino]ethanone Formula: C22H25N3O7S MolecularWeight: 475.5148

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(O1)C(=CC=C2)OCC(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4[N+](=O)[O-])C

Isomeric SMILES

CC1(CC2=C(O1)C(=CC=C2)OCC(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4[N+](=O)[O-])C

InChI

InChI=1S/C22H25N3O7S/c1-22(2)14-16-6-5-8-18(21(16)32-22)31-15-20(26)23-10-12-24(13-11-23)33(29,30)19-9-4-3-7-17(19)25(27)28/h3-9H,10-15H2,1-2H3