N-methoxy-1-[4-(4-methylsulfonylpiperazin-1-yl)-3-nitro-phenyl]methanimine

Systemtic Name: N-methoxy-1-[4-(4-methylsulfonylpiperazin-1-yl)-3-nitro-phenyl]methanimine Openeye Name: N-methoxy-1-[4-(4-methylsulfonylpiperazin-1-yl)-3-nitro-phenyl]methanimine CAS Name: N-methoxy-1-[4-(4-methylsulfonyl-1-piperazinyl)-3-nitrophenyl]methanimine IUPAC Name: N-methoxy-1-[4-(4-methylsulfonylpiperazin-1-yl)-3-nitrophenyl]methanimine Traditional Name: (E)-[4-(4-mesylpiperazino)-3-nitro-benzylidene]-methoxy-amine Formula: C13H18N4O5S MolecularWeight: 342.37082

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CO/N=C/C1=CC(=C(C=C1)N2CCN(CC2)S(=O)(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C13H18N4O5S/c1-22-14-10-11-3-4-12(13(9-11)17(18)19)15-5-7-16(8-6-15)23(2,20)21/h3-4,9-10H,5-8H2,1-2H3/b14-10+