1-methyl-4-[4-[4-(4-methylpiperazin-4-ium-1-yl)-3-nitro-phenyl]carbonylpiperazin-1-yl]sulfonyl-pyrrole-2-carboxamide

Systemtic Name: 1-methyl-4-[4-[4-(4-methylpiperazin-4-ium-1-yl)-3-nitro-phenyl]carbonylpiperazin-1-yl]sulfonyl-pyrrole-2-carboxamide Openeye Name: 1-methyl-4-[4-[4-(4-methylpiperazin-4-ium-1-yl)-3-nitro-benzoyl]piperazin-1-yl]sulfonyl-pyrrole-2-carboxamide CAS Name: 1-methyl-4-[[4-[[4-(4-methyl-1-piperazin-4-iumyl)-3-nitrophenyl]-oxomethyl]-1-piperazinyl]sulfonyl]-2-pyrrolecarboxamide IUPAC Name: 1-methyl-4-[4-[4-(4-methylpiperazin-4-ium-1-yl)-3-nitrobenzoyl]piperazin-1-yl]sulfonylpyrrole-2-carboxamide Traditional Name: 1-methyl-4-[4-[4-(4-methylpiperazin-4-ium-1-yl)-3-nitro-benzoyl]piperazino]sulfonyl-pyrrole-2-carboxamide Formula: C22H30N7O6S+ MolecularWeight: 520.5819

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29N7O6S/c1-24-5-7-26(8-6-24)18-4-3-16(13-19(18)29(32)33)22(31)27-9-11-28(12-10-27)36(34,35)17-14-20(21(23)30)25(2)15-17/h3-4,13-15H,5-12H2,1-2H3,(H2,23,30)/p+1