N-[4-methyl-3-(methylsulfamoyl)phenyl]-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)ethanamide

Systemtic Name: N-[4-methyl-3-(methylsulfamoyl)phenyl]-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-[4-methyl-3-(methylsulfamoyl)phenyl]-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)acetamide CAS Name: N-[4-methyl-3-(methylsulfamoyl)phenyl]-2-[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-[4-methyl-3-(methylsulfamoyl)phenyl]-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)acetamide Traditional Name: N-[4-methyl-3-(methylsulfamoyl)phenyl]-2-[4-(2-pyrimidyl)piperazin-1-ium-1-yl]acetamide Formula: C18H25N6O3S+ MolecularWeight: 405.4945

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C[NH+]2CCN(CC2)C3=NC=CC=N3)S(=O)(=O)NC

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C[NH+]2CCN(CC2)C3=NC=CC=N3)S(=O)(=O)NC

InChI

InChI=1S/C18H24N6O3S/c1-14-4-5-15(12-16(14)28(26,27)19-2)22-17(25)13-23-8-10-24(11-9-23)18-20-6-3-7-21-18/h3-7,12,19H,8-11,13H2,1-2H3,(H,22,25)/p+1