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

Systemtic Name: 1-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-2-(4-methyl-2-nitro-phenoxy)ethanone Openeye Name: 1-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-2-(4-methyl-2-nitro-phenoxy)ethanone CAS Name: 1-[4-(2,5-dimethylphenyl)sulfonyl-1-piperazinyl]-2-(4-methyl-2-nitrophenoxy)ethanone IUPAC Name: 1-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-2-(4-methyl-2-nitrophenoxy)ethanone Traditional Name: 1-[4-(2,5-dimethylphenyl)sulfonylpiperazino]-2-(4-methyl-2-nitro-phenoxy)ethanone Formula: C21H25N3O6S MolecularWeight: 447.5047

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O6S/c1-15-5-7-19(18(12-15)24(26)27)30-14-21(25)22-8-10-23(11-9-22)31(28,29)20-13-16(2)4-6-17(20)3/h4-7,12-13H,8-11,14H2,1-3H3