N-[5-(diethylsulfamoyl)-2-(4-methylpiperazin-4-ium-1-yl)phenyl]-4-methyl-pentanamide

Systemtic Name: N-[5-(diethylsulfamoyl)-2-(4-methylpiperazin-4-ium-1-yl)phenyl]-4-methyl-pentanamide Openeye Name: N-[5-(diethylsulfamoyl)-2-(4-methylpiperazin-4-ium-1-yl)phenyl]-4-methyl-pentanamide CAS Name: N-[5-(diethylsulfamoyl)-2-(4-methyl-1-piperazin-4-iumyl)phenyl]-4-methylpentanamide IUPAC Name: N-[5-(diethylsulfamoyl)-2-(4-methylpiperazin-4-ium-1-yl)phenyl]-4-methylpentanamide Traditional Name: N-[5-(diethylsulfamoyl)-2-(4-methylpiperazin-4-ium-1-yl)phenyl]-4-methyl-valeramide Formula: C21H37N4O3S+ MolecularWeight: 425.60848

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)N2CC[NH+](CC2)C)NC(=O)CCC(C)C

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)N2CC[NH+](CC2)C)NC(=O)CCC(C)C

InChI

InChI=1S/C21H36N4O3S/c1-6-25(7-2)29(27,28)18-9-10-20(24-14-12-23(5)13-15-24)19(16-18)22-21(26)11-8-17(3)4/h9-10,16-17H,6-8,11-15H2,1-5H3,(H,22,26)/p+1