N-[2-(4-methylpiperazin-4-ium-1-yl)-5-morpholin-4-ylsulfonyl-phenyl]pyridine-2-carboxamide

Systemtic Name: N-[2-(4-methylpiperazin-4-ium-1-yl)-5-morpholin-4-ylsulfonyl-phenyl]pyridine-2-carboxamide Openeye Name: N-[2-(4-methylpiperazin-4-ium-1-yl)-5-morpholinosulfonyl-phenyl]pyridine-2-carboxamide CAS Name: N-[2-(4-methyl-1-piperazin-4-iumyl)-5-(4-morpholinylsulfonyl)phenyl]-2-pyridinecarboxamide IUPAC Name: N-[2-(4-methylpiperazin-4-ium-1-yl)-5-morpholin-4-ylsulfonylphenyl]pyridine-2-carboxamide Traditional Name: N-[2-(4-methylpiperazin-4-ium-1-yl)-5-morpholinosulfonyl-phenyl]picolinamide Formula: C21H28N5O4S+ MolecularWeight: 446.54312

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)NC(=O)C4=CC=CC=N4

Isomeric SMILES

C[NH+]1CCN(CC1)C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)NC(=O)C4=CC=CC=N4

InChI

InChI=1S/C21H27N5O4S/c1-24-8-10-25(11-9-24)20-6-5-17(31(28,29)26-12-14-30-15-13-26)16-19(20)23-21(27)18-4-2-3-7-22-18/h2-7,16H,8-15H2,1H3,(H,23,27)/p+1