1-[4-fluoranyl-5-(4-methylpiperazin-4-ium-1-yl)-2-nitro-phenyl]-4-(4-methylphenyl)sulfonyl-piperazine

Systemtic Name: 1-[4-fluoranyl-5-(4-methylpiperazin-4-ium-1-yl)-2-nitro-phenyl]-4-(4-methylphenyl)sulfonyl-piperazine Openeye Name: 1-[4-fluoro-5-(4-methylpiperazin-4-ium-1-yl)-2-nitro-phenyl]-4-(p-tolylsulfonyl)piperazine CAS Name: 1-[4-fluoro-5-(4-methyl-1-piperazin-4-iumyl)-2-nitrophenyl]-4-(4-methylphenyl)sulfonylpiperazine IUPAC Name: 1-[4-fluoro-5-(4-methylpiperazin-4-ium-1-yl)-2-nitrophenyl]-4-(4-methylphenyl)sulfonylpiperazine Traditional Name: 1-[4-fluoro-5-(4-methylpiperazin-4-ium-1-yl)-2-nitro-phenyl]-4-tosyl-piperazine Formula: C22H29FN5O4S+ MolecularWeight: 478.560163

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=CC(=C(C=C3[N+](=O)[O-])F)N4CC[NH+](CC4)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=CC(=C(C=C3[N+](=O)[O-])F)N4CC[NH+](CC4)C

InChI

InChI=1S/C22H28FN5O4S/c1-17-3-5-18(6-4-17)33(31,32)27-13-11-26(12-14-27)21-16-20(19(23)15-22(21)28(29)30)25-9-7-24(2)8-10-25/h3-6,15-16H,7-14H2,1-2H3/p+1