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

Systemtic Name: (2S)-N-[5-(diethylsulfamoyl)-2-(4-methylpiperazin-4-ium-1-yl)phenyl]-2-phenylsulfanyl-propanamide Openeye Name: (2S)-N-[5-(diethylsulfamoyl)-2-(4-methylpiperazin-4-ium-1-yl)phenyl]-2-phenylsulfanyl-propanamide CAS Name: (2S)-N-[5-(diethylsulfamoyl)-2-(4-methyl-1-piperazin-4-iumyl)phenyl]-2-(phenylthio)propanamide IUPAC Name: (2S)-N-[5-(diethylsulfamoyl)-2-(4-methylpiperazin-4-ium-1-yl)phenyl]-2-phenylsulfanylpropanamide Traditional Name: (2S)-N-[5-(diethylsulfamoyl)-2-(4-methylpiperazin-4-ium-1-yl)phenyl]-2-(phenylthio)propionamide Formula: C24H35N4O3S2+ MolecularWeight: 491.6897

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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)C(C)SC3=CC=CC=C3

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)N2CC[NH+](CC2)C)NC(=O)[C@H](C)SC3=CC=CC=C3

InChI

InChI=1S/C24H34N4O3S2/c1-5-28(6-2)33(30,31)21-12-13-23(27-16-14-26(4)15-17-27)22(18-21)25-24(29)19(3)32-20-10-8-7-9-11-20/h7-13,18-19H,5-6,14-17H2,1-4H3,(H,25,29)/p+1/t19-/m0/s1