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

Systemtic Name: N-[2-(4-ethylpiperazin-4-ium-1-yl)-5-piperidin-1-ylsulfonyl-phenyl]-2-(2-methylphenyl)ethanamide Openeye Name: N-[2-(4-ethylpiperazin-4-ium-1-yl)-5-(1-piperidylsulfonyl)phenyl]-2-(o-tolyl)acetamide CAS Name: N-[2-(4-ethyl-1-piperazin-4-iumyl)-5-(1-piperidinylsulfonyl)phenyl]-2-(2-methylphenyl)acetamide IUPAC Name: N-[2-(4-ethylpiperazin-4-ium-1-yl)-5-piperidin-1-ylsulfonylphenyl]-2-(2-methylphenyl)acetamide Traditional Name: N-[2-(4-ethylpiperazin-4-ium-1-yl)-5-piperidinosulfonyl-phenyl]-2-(o-tolyl)acetamide Formula: C26H37N4O3S+ MolecularWeight: 485.66198

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)NC(=O)CC4=CC=CC=C4C

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)NC(=O)CC4=CC=CC=C4C

InChI

InChI=1S/C26H36N4O3S/c1-3-28-15-17-29(18-16-28)25-12-11-23(34(32,33)30-13-7-4-8-14-30)20-24(25)27-26(31)19-22-10-6-5-9-21(22)2/h5-6,9-12,20H,3-4,7-8,13-19H2,1-2H3,(H,27,31)/p+1