N-[5-(diethylsulfamoyl)-2-methyl-phenyl]-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)ethanamide

Systemtic Name: N-[5-(diethylsulfamoyl)-2-methyl-phenyl]-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-[5-(diethylsulfamoyl)-2-methyl-phenyl]-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)acetamide CAS Name: N-[5-(diethylsulfamoyl)-2-methylphenyl]-2-[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-[5-(diethylsulfamoyl)-2-methylphenyl]-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)acetamide Traditional Name: N-[5-(diethylsulfamoyl)-2-methyl-phenyl]-2-[4-(2-pyrimidyl)piperazin-1-ium-1-yl]acetamide Formula: C21H31N6O3S+ MolecularWeight: 447.57424

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)C)NC(=O)C[NH+]2CCN(CC2)C3=NC=CC=N3

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)C)NC(=O)C[NH+]2CCN(CC2)C3=NC=CC=N3

InChI

InChI=1S/C21H30N6O3S/c1-4-27(5-2)31(29,30)18-8-7-17(3)19(15-18)24-20(28)16-25-11-13-26(14-12-25)21-22-9-6-10-23-21/h6-10,15H,4-5,11-14,16H2,1-3H3,(H,24,28)/p+1