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

Systemtic Name: N-(4-methylphenyl)-2-[4-[4-(prop-2-ynylsulfamoyl)phenyl]carbonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: 2-[4-[4-(prop-2-ynylsulfamoyl)benzoyl]piperazin-1-ium-1-yl]-N-(p-tolyl)acetamide CAS Name: N-(4-methylphenyl)-2-[4-[oxo-[4-(prop-2-ynylsulfamoyl)phenyl]methyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(4-methylphenyl)-2-[4-[4-(prop-2-ynylsulfamoyl)benzoyl]piperazin-1-ium-1-yl]acetamide Traditional Name: 2-[4-[4-(propargylsulfamoyl)benzoyl]piperazin-1-ium-1-yl]-N-(p-tolyl)acetamide Formula: C23H27N4O4S+ MolecularWeight: 455.54988

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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=C(C=C3)S(=O)(=O)NCC#C

Isomeric SMILES

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

InChI

InChI=1S/C23H26N4O4S/c1-3-12-24-32(30,31)21-10-6-19(7-11-21)23(29)27-15-13-26(14-16-27)17-22(28)25-20-8-4-18(2)5-9-20/h1,4-11,24H,12-17H2,2H3,(H,25,28)/p+1