3-(2-methylphenoxy)-N-[2-(4-methylpiperazin-4-ium-1-yl)-5-piperidin-1-ylsulfonyl-phenyl]propanamide

Systemtic Name: 3-(2-methylphenoxy)-N-[2-(4-methylpiperazin-4-ium-1-yl)-5-piperidin-1-ylsulfonyl-phenyl]propanamide Openeye Name: 3-(2-methylphenoxy)-N-[2-(4-methylpiperazin-4-ium-1-yl)-5-(1-piperidylsulfonyl)phenyl]propanamide CAS Name: 3-(2-methylphenoxy)-N-[2-(4-methyl-1-piperazin-4-iumyl)-5-(1-piperidinylsulfonyl)phenyl]propanamide IUPAC Name: 3-(2-methylphenoxy)-N-[2-(4-methylpiperazin-4-ium-1-yl)-5-piperidin-1-ylsulfonylphenyl]propanamide Traditional Name: 3-(2-methylphenoxy)-N-[2-(4-methylpiperazin-4-ium-1-yl)-5-piperidinosulfonyl-phenyl]propionamide Formula: C26H37N4O4S+ MolecularWeight: 501.66138

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1OCCC(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCCCC3)N4CC[NH+](CC4)C

Isomeric SMILES

CC1=CC=CC=C1OCCC(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCCCC3)N4CC[NH+](CC4)C

InChI

InChI=1S/C26H36N4O4S/c1-21-8-4-5-9-25(21)34-19-12-26(31)27-23-20-22(35(32,33)30-13-6-3-7-14-30)10-11-24(23)29-17-15-28(2)16-18-29/h4-5,8-11,20H,3,6-7,12-19H2,1-2H3,(H,27,31)/p+1