2-(3,5-dimethylphenoxy)-1-[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazin-1-yl]ethanone

Systemtic Name: 2-(3,5-dimethylphenoxy)-1-[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazin-1-yl]ethanone Openeye Name: 2-(3,5-dimethylphenoxy)-1-[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazin-1-yl]ethanone CAS Name: 2-(3,5-dimethylphenoxy)-1-[4-(2-methyl-5-nitrophenyl)sulfonyl-1-piperazinyl]ethanone IUPAC Name: 2-(3,5-dimethylphenoxy)-1-[4-(2-methyl-5-nitrophenyl)sulfonylpiperazin-1-yl]ethanone Traditional Name: 2-(3,5-dimethylphenoxy)-1-[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazino]ethanone Formula: C21H25N3O6S MolecularWeight: 447.5047

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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