2-[(4-methylphenyl)methylsulfanyl]-N-[2-(4-methylpiperazin-4-ium-1-yl)-5-piperidin-1-ylsulfonyl-phenyl]ethanamide

Systemtic Name: 2-[(4-methylphenyl)methylsulfanyl]-N-[2-(4-methylpiperazin-4-ium-1-yl)-5-piperidin-1-ylsulfonyl-phenyl]ethanamide Openeye Name: N-[2-(4-methylpiperazin-4-ium-1-yl)-5-(1-piperidylsulfonyl)phenyl]-2-(p-tolylmethylsulfanyl)acetamide CAS Name: 2-[(4-methylphenyl)methylthio]-N-[2-(4-methyl-1-piperazin-4-iumyl)-5-(1-piperidinylsulfonyl)phenyl]acetamide IUPAC Name: 2-[(4-methylphenyl)methylsulfanyl]-N-[2-(4-methylpiperazin-4-ium-1-yl)-5-piperidin-1-ylsulfonylphenyl]acetamide Traditional Name: 2-[(4-methylbenzyl)thio]-N-[2-(4-methylpiperazin-4-ium-1-yl)-5-piperidinosulfonyl-phenyl]acetamide Formula: C26H37N4O3S2+ MolecularWeight: 517.72698

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CSCC(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCCCC3)N4CC[NH+](CC4)C

Isomeric SMILES

CC1=CC=C(C=C1)CSCC(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCCCC3)N4CC[NH+](CC4)C

InChI

InChI=1S/C26H36N4O3S2/c1-21-6-8-22(9-7-21)19-34-20-26(31)27-24-18-23(35(32,33)30-12-4-3-5-13-30)10-11-25(24)29-16-14-28(2)15-17-29/h6-11,18H,3-5,12-17,19-20H2,1-2H3,(H,27,31)/p+1