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

Systemtic Name: 4-cyano-N-[2-(4-methylpiperazin-4-ium-1-yl)-5-morpholin-4-ylsulfonyl-phenyl]benzamide Openeye Name: 4-cyano-N-[2-(4-methylpiperazin-4-ium-1-yl)-5-morpholinosulfonyl-phenyl]benzamide CAS Name: 4-cyano-N-[2-(4-methyl-1-piperazin-4-iumyl)-5-(4-morpholinylsulfonyl)phenyl]benzamide IUPAC Name: 4-cyano-N-[2-(4-methylpiperazin-4-ium-1-yl)-5-morpholin-4-ylsulfonylphenyl]benzamide Traditional Name: 4-cyano-N-[2-(4-methylpiperazin-4-ium-1-yl)-5-morpholinosulfonyl-phenyl]benzamide Formula: C23H28N5O4S+ MolecularWeight: 470.56452

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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=C(C=C4)C#N

Isomeric SMILES

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

InChI

InChI=1S/C23H27N5O4S/c1-26-8-10-27(11-9-26)22-7-6-20(33(30,31)28-12-14-32-15-13-28)16-21(22)25-23(29)19-4-2-18(17-24)3-5-19/h2-7,16H,8-15H2,1H3,(H,25,29)/p+1