N-(4-methylphenyl)-2-[4-[3-(prop-2-enylsulfamoyl)phenyl]carbonylpiperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(4-methylphenyl)-2-[4-[3-(prop-2-enylsulfamoyl)phenyl]carbonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: 2-[4-[3-(allylsulfamoyl)benzoyl]piperazin-1-ium-1-yl]-N-(p-tolyl)acetamide CAS Name: N-(4-methylphenyl)-2-[4-[oxo-[3-(prop-2-enylsulfamoyl)phenyl]methyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(4-methylphenyl)-2-[4-[3-(prop-2-enylsulfamoyl)benzoyl]piperazin-1-ium-1-yl]acetamide Traditional Name: 2-[4-[3-(allylsulfamoyl)benzoyl]piperazin-1-ium-1-yl]-N-(p-tolyl)acetamide Formula: C23H29N4O4S+ MolecularWeight: 457.56576

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)C[NH+]2CCN(CC2)C(=O)C3=CC(=CC=C3)S(=O)(=O)NCC=C

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)C[NH+]2CCN(CC2)C(=O)C3=CC(=CC=C3)S(=O)(=O)NCC=C

InChI

InChI=1S/C23H28N4O4S/c1-3-11-24-32(30,31)21-6-4-5-19(16-21)23(29)27-14-12-26(13-15-27)17-22(28)25-20-9-7-18(2)8-10-20/h3-10,16,24H,1,11-15,17H2,2H3,(H,25,28)/p+1