1-(4-methylphenyl)sulfonyl-4-[3-(4-methylpiperazin-4-ium-1-yl)-4-nitro-phenyl]piperazine

Systemtic Name: 1-(4-methylphenyl)sulfonyl-4-[3-(4-methylpiperazin-4-ium-1-yl)-4-nitro-phenyl]piperazine Openeye Name: 1-[3-(4-methylpiperazin-4-ium-1-yl)-4-nitro-phenyl]-4-(p-tolylsulfonyl)piperazine CAS Name: 1-(4-methylphenyl)sulfonyl-4-[3-(4-methyl-1-piperazin-4-iumyl)-4-nitrophenyl]piperazine IUPAC Name: 1-(4-methylphenyl)sulfonyl-4-[3-(4-methylpiperazin-4-ium-1-yl)-4-nitrophenyl]piperazine Traditional Name: 1-[3-(4-methylpiperazin-4-ium-1-yl)-4-nitro-phenyl]-4-tosyl-piperazine Formula: C22H30N5O4S+ MolecularWeight: 460.5697

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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-])N4CC[NH+](CC4)C

Isomeric SMILES

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

InChI

InChI=1S/C22H29N5O4S/c1-18-3-6-20(7-4-18)32(30,31)26-15-13-24(14-16-26)19-5-8-21(27(28)29)22(17-19)25-11-9-23(2)10-12-25/h3-8,17H,9-16H2,1-2H3/p+1