2-(2,6-dimethylphenoxy)-1-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]ethanone

Systemtic Name: 2-(2,6-dimethylphenoxy)-1-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]ethanone Openeye Name: 2-(2,6-dimethylphenoxy)-1-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]ethanone CAS Name: 2-(2,6-dimethylphenoxy)-1-[4-(3-nitrophenyl)sulfonyl-1-piperazinyl]ethanone IUPAC Name: 2-(2,6-dimethylphenoxy)-1-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]ethanone Traditional Name: 2-(2,6-dimethylphenoxy)-1-[4-(3-nitrophenyl)sulfonylpiperazino]ethanone Formula: C20H23N3O6S MolecularWeight: 433.47812

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23N3O6S/c1-15-5-3-6-16(2)20(15)29-14-19(24)21-9-11-22(12-10-21)30(27,28)18-8-4-7-17(13-18)23(25)26/h3-8,13H,9-12,14H2,1-2H3