2-[(4-chlorophenyl)methylsulfanyl]-N-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]ethanamide

Systemtic Name: 2-[(4-chlorophenyl)methylsulfanyl]-N-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]ethanamide Openeye Name: 2-[(4-chlorophenyl)methylsulfanyl]-N-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]acetamide CAS Name: 2-[(4-chlorophenyl)methylthio]-N-[4-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]phenyl]acetamide IUPAC Name: 2-[(4-chlorophenyl)methylsulfanyl]-N-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]acetamide Traditional Name: 2-[(4-chlorobenzyl)thio]-N-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]acetamide Formula: C20H25ClN3O3S2+ MolecularWeight: 455.0138

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)CSCC3=CC=C(C=C3)Cl

Isomeric SMILES

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)CSCC3=CC=C(C=C3)Cl

InChI

InChI=1S/C20H24ClN3O3S2/c1-23-10-12-24(13-11-23)29(26,27)19-8-6-18(7-9-19)22-20(25)15-28-14-16-2-4-17(21)5-3-16/h2-9H,10-15H2,1H3,(H,22,25)/p+1