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

Systemtic Name: 1-(4-chlorophenyl)sulfonyl-4-[3-(4-methylpiperazin-4-ium-1-yl)-4-nitro-phenyl]piperazine Openeye Name: 1-(4-chlorophenyl)sulfonyl-4-[3-(4-methylpiperazin-4-ium-1-yl)-4-nitro-phenyl]piperazine CAS Name: 1-(4-chlorophenyl)sulfonyl-4-[3-(4-methyl-1-piperazin-4-iumyl)-4-nitrophenyl]piperazine IUPAC Name: 1-(4-chlorophenyl)sulfonyl-4-[3-(4-methylpiperazin-4-ium-1-yl)-4-nitrophenyl]piperazine Traditional Name: 1-(4-chlorophenyl)sulfonyl-4-[3-(4-methylpiperazin-4-ium-1-yl)-4-nitro-phenyl]piperazine Formula: C21H27ClN5O4S+ MolecularWeight: 480.98818

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=C(C=CC(=C2)N3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)Cl)[N+](=O)[O-]

Isomeric SMILES

C[NH+]1CCN(CC1)C2=C(C=CC(=C2)N3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)Cl)[N+](=O)[O-]

InChI

InChI=1S/C21H26ClN5O4S/c1-23-8-10-25(11-9-23)21-16-18(4-7-20(21)27(28)29)24-12-14-26(15-13-24)32(30,31)19-5-2-17(22)3-6-19/h2-7,16H,8-15H2,1H3/p+1