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

Systemtic Name: 2-(2,4-dimethylphenoxy)-N-[2-(4-methylpiperazin-4-ium-1-yl)-5-piperidin-1-ylsulfonyl-phenyl]ethanamide Openeye Name: 2-(2,4-dimethylphenoxy)-N-[2-(4-methylpiperazin-4-ium-1-yl)-5-(1-piperidylsulfonyl)phenyl]acetamide CAS Name: 2-(2,4-dimethylphenoxy)-N-[2-(4-methyl-1-piperazin-4-iumyl)-5-(1-piperidinylsulfonyl)phenyl]acetamide IUPAC Name: 2-(2,4-dimethylphenoxy)-N-[2-(4-methylpiperazin-4-ium-1-yl)-5-piperidin-1-ylsulfonylphenyl]acetamide Traditional Name: 2-(2,4-dimethylphenoxy)-N-[2-(4-methylpiperazin-4-ium-1-yl)-5-piperidinosulfonyl-phenyl]acetamide Formula: C26H37N4O4S+ MolecularWeight: 501.66138

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H36N4O4S/c1-20-7-10-25(21(2)17-20)34-19-26(31)27-23-18-22(35(32,33)30-11-5-4-6-12-30)8-9-24(23)29-15-13-28(3)14-16-29/h7-10,17-18H,4-6,11-16,19H2,1-3H3,(H,27,31)/p+1