2-(3,4-dimethoxyphenyl)-1-[4-(4-methylsulfonyl-2-nitro-phenyl)piperazin-1-yl]ethanone

Systemtic Name: 2-(3,4-dimethoxyphenyl)-1-[4-(4-methylsulfonyl-2-nitro-phenyl)piperazin-1-yl]ethanone Openeye Name: 2-(3,4-dimethoxyphenyl)-1-[4-(4-methylsulfonyl-2-nitro-phenyl)piperazin-1-yl]ethanone CAS Name: 2-(3,4-dimethoxyphenyl)-1-[4-(4-methylsulfonyl-2-nitrophenyl)-1-piperazinyl]ethanone IUPAC Name: 2-(3,4-dimethoxyphenyl)-1-[4-(4-methylsulfonyl-2-nitrophenyl)piperazin-1-yl]ethanone Traditional Name: 2-(3,4-dimethoxyphenyl)-1-[4-(4-mesyl-2-nitro-phenyl)piperazino]ethanone Formula: C21H25N3O7S MolecularWeight: 463.5041

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O7S/c1-30-19-7-4-15(12-20(19)31-2)13-21(25)23-10-8-22(9-11-23)17-6-5-16(32(3,28)29)14-18(17)24(26)27/h4-7,12,14H,8-11,13H2,1-3H3