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

Systemtic Name: N-[5-(diethylsulfamoyl)-2-(4-methylpiperazin-4-ium-1-yl)phenyl]-3-phenyl-propanamide Openeye Name: N-[5-(diethylsulfamoyl)-2-(4-methylpiperazin-4-ium-1-yl)phenyl]-3-phenyl-propanamide CAS Name: N-[5-(diethylsulfamoyl)-2-(4-methyl-1-piperazin-4-iumyl)phenyl]-3-phenylpropanamide IUPAC Name: N-[5-(diethylsulfamoyl)-2-(4-methylpiperazin-4-ium-1-yl)phenyl]-3-phenylpropanamide Traditional Name: N-[5-(diethylsulfamoyl)-2-(4-methylpiperazin-4-ium-1-yl)phenyl]-3-phenyl-propionamide Formula: C24H35N4O3S+ MolecularWeight: 459.6247

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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)CCC3=CC=CC=C3

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)N2CC[NH+](CC2)C)NC(=O)CCC3=CC=CC=C3

InChI

InChI=1S/C24H34N4O3S/c1-4-28(5-2)32(30,31)21-12-13-23(27-17-15-26(3)16-18-27)22(19-21)25-24(29)14-11-20-9-7-6-8-10-20/h6-10,12-13,19H,4-5,11,14-18H2,1-3H3,(H,25,29)/p+1