[5-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-methylsulfanyl-phenyl]-morpholin-4-yl-methanone

Systemtic Name: [5-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-methylsulfanyl-phenyl]-morpholin-4-yl-methanone Openeye Name: [5-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-methylsulfanyl-phenyl]-morpholino-methanone CAS Name: [5-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]-2-(methylthio)phenyl]-(4-morpholinyl)methanone IUPAC Name: [5-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-methylsulfanylphenyl]-morpholin-4-ylmethanone Traditional Name: [5-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-(methylthio)phenyl]-morpholino-methanone Formula: C17H26N3O4S2+ MolecularWeight: 400.53604

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H25N3O4S2/c1-18-5-7-20(8-6-18)26(22,23)14-3-4-16(25-2)15(13-14)17(21)19-9-11-24-12-10-19/h3-4,13H,5-12H2,1-2H3/p+1