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

Systemtic Name: 1-(5-aminocarbonyl-1-methyl-pyrrol-3-yl)sulfonyl-N-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]piperidine-4-carboxamide Openeye Name: 1-(5-carbamoyl-1-methyl-pyrrol-3-yl)sulfonyl-N-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]piperidine-4-carboxamide CAS Name: 1-[(5-carbamoyl-1-methyl-3-pyrrolyl)sulfonyl]-N-[4-(4-methyl-1-piperazin-4-iumyl)phenyl]-4-piperidinecarboxamide IUPAC Name: 1-(5-carbamoyl-1-methylpyrrol-3-yl)sulfonyl-N-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]piperidine-4-carboxamide Traditional Name: 1-(5-carbamoyl-1-methyl-pyrrol-3-yl)sulfonyl-N-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]isonipecotamide Formula: C23H33N6O4S+ MolecularWeight: 489.61092

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C23H32N6O4S/c1-26-11-13-28(14-12-26)19-5-3-18(4-6-19)25-23(31)17-7-9-29(10-8-17)34(32,33)20-15-21(22(24)30)27(2)16-20/h3-6,15-17H,7-14H2,1-2H3,(H2,24,30)(H,25,31)/p+1