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

Systemtic Name: 2-[4-[4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitro-phenyl]piperazin-1-ium-1-yl]-N-(2-methylpropyl)ethanamide Openeye Name: N-isobutyl-2-[4-[4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitro-phenyl]piperazin-1-ium-1-yl]acetamide CAS Name: 2-[4-[4-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]-2-nitrophenyl]-1-piperazin-1-iumyl]-N-(2-methylpropyl)acetamide IUPAC Name: 2-[4-[4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitrophenyl]piperazin-1-ium-1-yl]-N-(2-methylpropyl)acetamide Traditional Name: N-isobutyl-2-[4-[4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitro-phenyl]piperazin-1-ium-1-yl]acetamide Formula: C21H36N6O5S+2 MolecularWeight: 484.61274

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H34N6O5S/c1-17(2)15-22-21(28)16-24-8-10-25(11-9-24)19-5-4-18(14-20(19)27(29)30)33(31,32)26-12-6-23(3)7-13-26/h4-5,14,17H,6-13,15-16H2,1-3H3,(H,22,28)/p+2