2-(4-methylpiperazin-4-ium-1-yl)sulfonyl-4-nitro-N-[(Z)-(phenylmethylidene)amino]aniline

Systemtic Name: 2-(4-methylpiperazin-4-ium-1-yl)sulfonyl-4-nitro-N-[(Z)-(phenylmethylidene)amino]aniline Openeye Name: N-[(Z)-benzylideneamino]-2-(4-methylpiperazin-4-ium-1-yl)sulfonyl-4-nitro-aniline CAS Name: 2-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]-4-nitro-N-[(Z)-(phenylmethylene)amino]aniline IUPAC Name: N-[(Z)-benzylideneamino]-2-(4-methylpiperazin-4-ium-1-yl)sulfonyl-4-nitroaniline Traditional Name: [(Z)-benzalamino]-[2-(4-methylpiperazin-4-ium-1-yl)sulfonyl-4-nitro-phenyl]amine Formula: C18H22N5O4S+ MolecularWeight: 404.46338

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)[N+](=O)[O-])NN=CC3=CC=CC=C3

Isomeric SMILES

C[NH+]1CCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N/N=C\C3=CC=CC=C3

InChI

InChI=1S/C18H21N5O4S/c1-21-9-11-22(12-10-21)28(26,27)18-13-16(23(24)25)7-8-17(18)20-19-14-15-5-3-2-4-6-15/h2-8,13-14,20H,9-12H2,1H3/p+1/b19-14-