1-[4-(4-methylsulfonyl-2-nitro-phenyl)piperazin-1-yl]-2-(3,4,5-trimethoxyphenyl)ethanone

Systemtic Name: 1-[4-(4-methylsulfonyl-2-nitro-phenyl)piperazin-1-yl]-2-(3,4,5-trimethoxyphenyl)ethanone Openeye Name: 1-[4-(4-methylsulfonyl-2-nitro-phenyl)piperazin-1-yl]-2-(3,4,5-trimethoxyphenyl)ethanone CAS Name: 1-[4-(4-methylsulfonyl-2-nitrophenyl)-1-piperazinyl]-2-(3,4,5-trimethoxyphenyl)ethanone IUPAC Name: 1-[4-(4-methylsulfonyl-2-nitrophenyl)piperazin-1-yl]-2-(3,4,5-trimethoxyphenyl)ethanone Traditional Name: 1-[4-(4-mesyl-2-nitro-phenyl)piperazino]-2-(3,4,5-trimethoxyphenyl)ethanone Formula: C22H27N3O8S MolecularWeight: 493.53008

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)CC(=O)N2CCN(CC2)C3=C(C=C(C=C3)S(=O)(=O)C)[N+](=O)[O-]

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)CC(=O)N2CCN(CC2)C3=C(C=C(C=C3)S(=O)(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C22H27N3O8S/c1-31-19-11-15(12-20(32-2)22(19)33-3)13-21(26)24-9-7-23(8-10-24)17-6-5-16(34(4,29)30)14-18(17)25(27)28/h5-6,11-12,14H,7-10,13H2,1-4H3