2-(4-chloranyl-2-methyl-phenoxy)-1-[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazin-1-yl]ethanone

Systemtic Name: 2-(4-chloranyl-2-methyl-phenoxy)-1-[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazin-1-yl]ethanone Openeye Name: 2-(4-chloro-2-methyl-phenoxy)-1-[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazin-1-yl]ethanone CAS Name: 2-(4-chloro-2-methylphenoxy)-1-[4-(2-methyl-5-nitrophenyl)sulfonyl-1-piperazinyl]ethanone IUPAC Name: 2-(4-chloro-2-methylphenoxy)-1-[4-(2-methyl-5-nitrophenyl)sulfonylpiperazin-1-yl]ethanone Traditional Name: 2-(4-chloro-2-methyl-phenoxy)-1-[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazino]ethanone Formula: C20H22ClN3O6S MolecularWeight: 467.92318

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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=C(C=C(C=C3)Cl)C

Isomeric SMILES

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

InChI

InChI=1S/C20H22ClN3O6S/c1-14-3-5-17(24(26)27)12-19(14)31(28,29)23-9-7-22(8-10-23)20(25)13-30-18-6-4-16(21)11-15(18)2/h3-6,11-12H,7-10,13H2,1-2H3