2-(2-nitrophenoxy)-1-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]ethanone

Systemtic Name: 2-(2-nitrophenoxy)-1-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]ethanone Openeye Name: 2-(2-nitrophenoxy)-1-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]ethanone CAS Name: 2-(2-nitrophenoxy)-1-[4-(2,4,6-trimethylphenyl)sulfonyl-1-piperazinyl]ethanone IUPAC Name: 2-(2-nitrophenoxy)-1-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]ethanone Traditional Name: 1-(4-mesitylsulfonylpiperazino)-2-(2-nitrophenoxy)ethanone Formula: C21H25N3O6S MolecularWeight: 447.5047

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)S(=O)(=O)N2CCN(CC2)C(=O)COC3=CC=CC=C3[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)S(=O)(=O)N2CCN(CC2)C(=O)COC3=CC=CC=C3[N+](=O)[O-])C

InChI

InChI=1S/C21H25N3O6S/c1-15-12-16(2)21(17(3)13-15)31(28,29)23-10-8-22(9-11-23)20(25)14-30-19-7-5-4-6-18(19)24(26)27/h4-7,12-13H,8-11,14H2,1-3H3