1-(4-methylpiperazin-1-yl)-2-(4-methylsulfinyl-2-nitro-phenoxy)ethanone

Systemtic Name: 1-(4-methylpiperazin-1-yl)-2-(4-methylsulfinyl-2-nitro-phenoxy)ethanone Openeye Name: 1-(4-methylpiperazin-1-yl)-2-(4-methylsulfinyl-2-nitro-phenoxy)ethanone CAS Name: 1-(4-methyl-1-piperazinyl)-2-(4-methylsulfinyl-2-nitrophenoxy)ethanone IUPAC Name: 1-(4-methylpiperazin-1-yl)-2-(4-methylsulfinyl-2-nitrophenoxy)ethanone Traditional Name: 1-(4-methylpiperazino)-2-(4-methylsulfinyl-2-nitro-phenoxy)ethanone Formula: C14H19N3O5S MolecularWeight: 341.38276

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C(=O)COC2=C(C=C(C=C2)S(=O)C)[N+](=O)[O-]

Isomeric SMILES

CN1CCN(CC1)C(=O)COC2=C(C=C(C=C2)S(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C14H19N3O5S/c1-15-5-7-16(8-6-15)14(18)10-22-13-4-3-11(23(2)21)9-12(13)17(19)20/h3-4,9H,5-8,10H2,1-2H3