1-(5-aminocarbonyl-1-methyl-pyrrol-3-yl)sulfonyl-N-[6-(4-methylpiperazin-4-ium-1-yl)pyridin-3-yl]piperidine-4-carboxamide

Systemtic Name: 1-(5-aminocarbonyl-1-methyl-pyrrol-3-yl)sulfonyl-N-[6-(4-methylpiperazin-4-ium-1-yl)pyridin-3-yl]piperidine-4-carboxamide Openeye Name: 1-(5-carbamoyl-1-methyl-pyrrol-3-yl)sulfonyl-N-[6-(4-methylpiperazin-4-ium-1-yl)-3-pyridyl]piperidine-4-carboxamide CAS Name: 1-[(5-carbamoyl-1-methyl-3-pyrrolyl)sulfonyl]-N-[6-(4-methyl-1-piperazin-4-iumyl)-3-pyridinyl]-4-piperidinecarboxamide IUPAC Name: 1-(5-carbamoyl-1-methylpyrrol-3-yl)sulfonyl-N-[6-(4-methylpiperazin-4-ium-1-yl)pyridin-3-yl]piperidine-4-carboxamide Traditional Name: 1-(5-carbamoyl-1-methyl-pyrrol-3-yl)sulfonyl-N-[6-(4-methylpiperazin-4-ium-1-yl)-3-pyridyl]isonipecotamide Formula: C22H32N7O4S+ MolecularWeight: 490.59898

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=NC=C(C=C2)NC(=O)C3CCN(CC3)S(=O)(=O)C4=CN(C(=C4)C(=O)N)C

Isomeric SMILES

C[NH+]1CCN(CC1)C2=NC=C(C=C2)NC(=O)C3CCN(CC3)S(=O)(=O)C4=CN(C(=C4)C(=O)N)C

InChI

InChI=1S/C22H31N7O4S/c1-26-9-11-28(12-10-26)20-4-3-17(14-24-20)25-22(31)16-5-7-29(8-6-16)34(32,33)18-13-19(21(23)30)27(2)15-18/h3-4,13-16H,5-12H2,1-2H3,(H2,23,30)(H,25,31)/p+1