N-(5-chloranyl-2-morpholin-4-yl-phenyl)-3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-benzamide

Systemtic Name: N-(5-chloranyl-2-morpholin-4-yl-phenyl)-3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-benzamide Openeye Name: N-(5-chloro-2-morpholino-phenyl)-3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-benzamide CAS Name: N-[5-chloro-2-(4-morpholinyl)phenyl]-3-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]benzamide IUPAC Name: N-(5-chloro-2-morpholin-4-ylphenyl)-3-(4-methylpiperazin-4-ium-1-yl)sulfonylbenzamide Traditional Name: N-(5-chloro-2-morpholino-phenyl)-3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-benzamide Formula: C22H28ClN4O4S+ MolecularWeight: 480.00012

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NC3=C(C=CC(=C3)Cl)N4CCOCC4

Isomeric SMILES

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NC3=C(C=CC(=C3)Cl)N4CCOCC4

InChI

InChI=1S/C22H27ClN4O4S/c1-25-7-9-27(10-8-25)32(29,30)19-4-2-3-17(15-19)22(28)24-20-16-18(23)5-6-21(20)26-11-13-31-14-12-26/h2-6,15-16H,7-14H2,1H3,(H,24,28)/p+1