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

Systemtic Name: 1-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-2-(5-methyl-2-nitro-phenoxy)ethanone Openeye Name: 1-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-2-(5-methyl-2-nitro-phenoxy)ethanone CAS Name: 1-[4-(2,5-dimethoxyphenyl)sulfonyl-1-piperazinyl]-2-(5-methyl-2-nitrophenoxy)ethanone IUPAC Name: 1-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-2-(5-methyl-2-nitrophenoxy)ethanone Traditional Name: 1-[4-(2,5-dimethoxyphenyl)sulfonylpiperazino]-2-(5-methyl-2-nitro-phenoxy)ethanone Formula: C21H25N3O8S MolecularWeight: 479.5035

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O8S/c1-15-4-6-17(24(26)27)19(12-15)32-14-21(25)22-8-10-23(11-9-22)33(28,29)20-13-16(30-2)5-7-18(20)31-3/h4-7,12-13H,8-11,14H2,1-3H3