2-(2-nitrophenoxy)-1-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]ethanone

Systemtic Name: 2-(2-nitrophenoxy)-1-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]ethanone Openeye Name: 2-(2-nitrophenoxy)-1-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]ethanone CAS Name: 2-(2-nitrophenoxy)-1-[4-(2,3,5,6-tetramethylphenyl)sulfonyl-1-piperazinyl]ethanone IUPAC Name: 2-(2-nitrophenoxy)-1-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]ethanone Traditional Name: 2-(2-nitrophenoxy)-1-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazino]ethanone Formula: C22H27N3O6S MolecularWeight: 461.53128

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1C)S(=O)(=O)N2CCN(CC2)C(=O)COC3=CC=CC=C3[N+](=O)[O-])C)C

Isomeric SMILES

CC1=CC(=C(C(=C1C)S(=O)(=O)N2CCN(CC2)C(=O)COC3=CC=CC=C3[N+](=O)[O-])C)C

InChI

InChI=1S/C22H27N3O6S/c1-15-13-16(2)18(4)22(17(15)3)32(29,30)24-11-9-23(10-12-24)21(26)14-31-20-8-6-5-7-19(20)25(27)28/h5-8,13H,9-12,14H2,1-4H3