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

Systemtic Name: 1-[3-(4-methylpiperazin-4-ium-1-yl)-4-nitro-phenyl]-4-(phenylsulfonyl)piperazine Openeye Name: 1-(benzenesulfonyl)-4-[3-(4-methylpiperazin-4-ium-1-yl)-4-nitro-phenyl]piperazine CAS Name: 1-(benzenesulfonyl)-4-[3-(4-methyl-1-piperazin-4-iumyl)-4-nitrophenyl]piperazine IUPAC Name: 1-(benzenesulfonyl)-4-[3-(4-methylpiperazin-4-ium-1-yl)-4-nitrophenyl]piperazine Traditional Name: 1-besyl-4-[3-(4-methylpiperazin-4-ium-1-yl)-4-nitro-phenyl]piperazine Formula: C21H28N5O4S+ MolecularWeight: 446.54312

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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=CC=C4)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C21H27N5O4S/c1-22-9-11-24(12-10-22)21-17-18(7-8-20(21)26(27)28)23-13-15-25(16-14-23)31(29,30)19-5-3-2-4-6-19/h2-8,17H,9-16H2,1H3/p+1