2-(4-methyl-2-nitro-phenoxy)-1-(4-methylsulfonylpiperazin-1-yl)ethanone

Systemtic Name: 2-(4-methyl-2-nitro-phenoxy)-1-(4-methylsulfonylpiperazin-1-yl)ethanone Openeye Name: 2-(4-methyl-2-nitro-phenoxy)-1-(4-methylsulfonylpiperazin-1-yl)ethanone CAS Name: 2-(4-methyl-2-nitrophenoxy)-1-(4-methylsulfonyl-1-piperazinyl)ethanone IUPAC Name: 2-(4-methyl-2-nitrophenoxy)-1-(4-methylsulfonylpiperazin-1-yl)ethanone Traditional Name: 1-(4-mesylpiperazino)-2-(4-methyl-2-nitro-phenoxy)ethanone Formula: C14H19N3O6S MolecularWeight: 357.38216

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H19N3O6S/c1-11-3-4-13(12(9-11)17(19)20)23-10-14(18)15-5-7-16(8-6-15)24(2,21)22/h3-4,9H,5-8,10H2,1-2H3