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

Systemtic Name: N-methoxy-1-[3-nitro-4-[4-(phenylsulfonyl)piperazin-1-yl]phenyl]methanimine Openeye Name: 1-[4-[4-(benzenesulfonyl)piperazin-1-yl]-3-nitro-phenyl]-N-methoxy-methanimine CAS Name: 1-[4-[4-(benzenesulfonyl)-1-piperazinyl]-3-nitrophenyl]-N-methoxymethanimine IUPAC Name: 1-[4-[4-(benzenesulfonyl)piperazin-1-yl]-3-nitrophenyl]-N-methoxymethanimine Traditional Name: (E)-[4-(4-besylpiperazino)-3-nitro-benzylidene]-methoxy-amine Formula: C18H20N4O5S MolecularWeight: 404.4402

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20N4O5S/c1-27-19-14-15-7-8-17(18(13-15)22(23)24)20-9-11-21(12-10-20)28(25,26)16-5-3-2-4-6-16/h2-8,13-14H,9-12H2,1H3/b19-14+