(2S)-N-[3-(diethylsulfamoyl)-4-methyl-phenyl]-2-(4-ethanoylpiperazin-1-ium-1-yl)propanamide

Systemtic Name: (2S)-N-[3-(diethylsulfamoyl)-4-methyl-phenyl]-2-(4-ethanoylpiperazin-1-ium-1-yl)propanamide Openeye Name: (2S)-2-(4-acetylpiperazin-1-ium-1-yl)-N-[3-(diethylsulfamoyl)-4-methyl-phenyl]propanamide CAS Name: (2S)-2-(4-acetyl-1-piperazin-1-iumyl)-N-[3-(diethylsulfamoyl)-4-methylphenyl]propanamide IUPAC Name: (2S)-2-(4-acetylpiperazin-1-ium-1-yl)-N-[3-(diethylsulfamoyl)-4-methylphenyl]propanamide Traditional Name: (2S)-2-(4-acetylpiperazin-1-ium-1-yl)-N-[3-(diethylsulfamoyl)-4-methyl-phenyl]propionamide Formula: C20H33N4O4S+ MolecularWeight: 425.56542

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=C(C=CC(=C1)NC(=O)C(C)[NH+]2CCN(CC2)C(=O)C)C

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=C(C=CC(=C1)NC(=O)[C@H](C)[NH+]2CCN(CC2)C(=O)C)C

InChI

InChI=1S/C20H32N4O4S/c1-6-24(7-2)29(27,28)19-14-18(9-8-15(19)3)21-20(26)16(4)22-10-12-23(13-11-22)17(5)25/h8-9,14,16H,6-7,10-13H2,1-5H3,(H,21,26)/p+1/t16-/m0/s1