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

Systemtic Name: 2-(2-methylphenyl)-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-(o-tolyl)acetamide CAS Name: 2-(2-methylphenyl)-N-[2-(4-methyl-1-piperazin-4-iumyl)-5-(1-piperidinylsulfonyl)phenyl]acetamide IUPAC Name: 2-(2-methylphenyl)-N-[2-(4-methylpiperazin-4-ium-1-yl)-5-piperidin-1-ylsulfonylphenyl]acetamide Traditional Name: N-[2-(4-methylpiperazin-4-ium-1-yl)-5-piperidinosulfonyl-phenyl]-2-(o-tolyl)acetamide Formula: C25H35N4O3S+ MolecularWeight: 471.6354

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CC(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCCCC3)N4CC[NH+](CC4)C

Isomeric SMILES

CC1=CC=CC=C1CC(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCCCC3)N4CC[NH+](CC4)C

InChI

InChI=1S/C25H34N4O3S/c1-20-8-4-5-9-21(20)18-25(30)26-23-19-22(33(31,32)29-12-6-3-7-13-29)10-11-24(23)28-16-14-27(2)15-17-28/h4-5,8-11,19H,3,6-7,12-18H2,1-2H3,(H,26,30)/p+1