3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-N-(2-morpholin-4-ylphenyl)benzamide

Systemtic Name: 3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-N-(2-morpholin-4-ylphenyl)benzamide Openeye Name: 3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-N-(2-morpholinophenyl)benzamide CAS Name: 3-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]-N-[2-(4-morpholinyl)phenyl]benzamide IUPAC Name: 3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-N-(2-morpholin-4-ylphenyl)benzamide Traditional Name: 3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-N-(2-morpholinophenyl)benzamide Formula: C22H29N4O4S+ MolecularWeight: 445.55506

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NC3=CC=CC=C3N4CCOCC4

Isomeric SMILES

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NC3=CC=CC=C3N4CCOCC4

InChI

InChI=1S/C22H28N4O4S/c1-24-9-11-26(12-10-24)31(28,29)19-6-4-5-18(17-19)22(27)23-20-7-2-3-8-21(20)25-13-15-30-16-14-25/h2-8,17H,9-16H2,1H3,(H,23,27)/p+1