4-[4-[4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitro-phenoxy]phenyl]benzenecarbonitrile

Systemtic Name: 4-[4-[4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitro-phenoxy]phenyl]benzenecarbonitrile Openeye Name: 4-[4-[4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitro-phenoxy]phenyl]benzonitrile CAS Name: 4-[4-[4-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]-2-nitrophenoxy]phenyl]benzonitrile IUPAC Name: 4-[4-[4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitrophenoxy]phenyl]benzonitrile Traditional Name: 4-[4-[4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitro-phenoxy]phenyl]benzonitrile Formula: C24H23N4O5S+ MolecularWeight: 479.52822

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)OC3=CC=C(C=C3)C4=CC=C(C=C4)C#N)[N+](=O)[O-]

Isomeric SMILES

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)OC3=CC=C(C=C3)C4=CC=C(C=C4)C#N)[N+](=O)[O-]

InChI

InChI=1S/C24H22N4O5S/c1-26-12-14-27(15-13-26)34(31,32)22-10-11-24(23(16-22)28(29)30)33-21-8-6-20(7-9-21)19-4-2-18(17-25)3-5-19/h2-11,16H,12-15H2,1H3/p+1