2-[4-[4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitro-phenyl]piperazin-1-ium-1-yl]-N-propyl-ethanamide

Systemtic Name: 2-[4-[4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitro-phenyl]piperazin-1-ium-1-yl]-N-propyl-ethanamide Openeye Name: 2-[4-[4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitro-phenyl]piperazin-1-ium-1-yl]-N-propyl-acetamide CAS Name: 2-[4-[4-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]-2-nitrophenyl]-1-piperazin-1-iumyl]-N-propylacetamide IUPAC Name: 2-[4-[4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitrophenyl]piperazin-1-ium-1-yl]-N-propylacetamide Traditional Name: 2-[4-[4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitro-phenyl]piperazin-1-ium-1-yl]-N-propyl-acetamide Formula: C20H34N6O5S+2 MolecularWeight: 470.58616

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C[NH+]1CCN(CC1)C2=C(C=C(C=C2)S(=O)(=O)N3CC[NH+](CC3)C)[N+](=O)[O-]

Isomeric SMILES

CCCNC(=O)C[NH+]1CCN(CC1)C2=C(C=C(C=C2)S(=O)(=O)N3CC[NH+](CC3)C)[N+](=O)[O-]

InChI

InChI=1S/C20H32N6O5S/c1-3-6-21-20(27)16-23-9-11-24(12-10-23)18-5-4-17(15-19(18)26(28)29)32(30,31)25-13-7-22(2)8-14-25/h4-5,15H,3,6-14,16H2,1-2H3,(H,21,27)/p+2