2-(3,4-dimethoxyphenyl)-1-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]ethanone

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23N3O7S/c1-29-18-7-6-15(12-19(18)30-2)13-20(24)21-8-10-22(11-9-21)31(27,28)17-5-3-4-16(14-17)23(25)26/h3-7,12,14H,8-11,13H2,1-2H3