(2R)-N-[3-(dimethylsulfamoyl)phenyl]-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propanamide

Systemtic Name: (2R)-N-[3-(dimethylsulfamoyl)phenyl]-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propanamide Openeye Name: (2R)-N-[3-(dimethylsulfamoyl)phenyl]-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propanamide CAS Name: (2R)-N-[3-(dimethylsulfamoyl)phenyl]-2-[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]propanamide IUPAC Name: (2R)-N-[3-(dimethylsulfamoyl)phenyl]-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propanamide Traditional Name: (2R)-N-[3-(dimethylsulfamoyl)phenyl]-2-[4-(2-pyrimidyl)piperazin-1-ium-1-yl]propionamide Formula: C19H27N6O3S+ MolecularWeight: 419.52108

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=CC=C1)S(=O)(=O)N(C)C)[NH+]2CCN(CC2)C3=NC=CC=N3

Isomeric SMILES

C[C@H](C(=O)NC1=CC(=CC=C1)S(=O)(=O)N(C)C)[NH+]2CCN(CC2)C3=NC=CC=N3

InChI

InChI=1S/C19H26N6O3S/c1-15(24-10-12-25(13-11-24)19-20-8-5-9-21-19)18(26)22-16-6-4-7-17(14-16)29(27,28)23(2)3/h4-9,14-15H,10-13H2,1-3H3,(H,22,26)/p+1/t15-/m1/s1