2-(4-chloranyl-2-nitro-phenoxy)-1-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]ethanone

Systemtic Name: 2-(4-chloranyl-2-nitro-phenoxy)-1-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]ethanone Openeye Name: 2-(4-chloro-2-nitro-phenoxy)-1-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]ethanone CAS Name: 2-(4-chloro-2-nitrophenoxy)-1-[4-(2,5-dimethoxyphenyl)sulfonyl-1-piperazinyl]ethanone IUPAC Name: 2-(4-chloro-2-nitrophenoxy)-1-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]ethanone Traditional Name: 2-(4-chloro-2-nitro-phenoxy)-1-[4-(2,5-dimethoxyphenyl)sulfonylpiperazino]ethanone Formula: C20H22ClN3O8S MolecularWeight: 499.92198

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)S(=O)(=O)N2CCN(CC2)C(=O)COC3=C(C=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

COC1=CC(=C(C=C1)OC)S(=O)(=O)N2CCN(CC2)C(=O)COC3=C(C=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C20H22ClN3O8S/c1-30-15-4-6-18(31-2)19(12-15)33(28,29)23-9-7-22(8-10-23)20(25)13-32-17-5-3-14(21)11-16(17)24(26)27/h3-6,11-12H,7-10,13H2,1-2H3