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

Systemtic Name: 1-[4-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-3-nitro-phenyl]ethanone Openeye Name: 1-[4-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-3-nitro-phenyl]ethanone CAS Name: 1-[4-[4-(2,5-dimethoxyphenyl)sulfonyl-1-piperazinyl]-3-nitrophenyl]ethanone IUPAC Name: 1-[4-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-3-nitrophenyl]ethanone Traditional Name: 1-[4-[4-(2,5-dimethoxyphenyl)sulfonylpiperazino]-3-nitro-phenyl]ethanone Formula: C20H23N3O7S MolecularWeight: 449.47752

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23N3O7S/c1-14(24)15-4-6-17(18(12-15)23(25)26)21-8-10-22(11-9-21)31(27,28)20-13-16(29-2)5-7-19(20)30-3/h4-7,12-13H,8-11H2,1-3H3