(2S)-N-[5-(dimethylsulfamoyl)-2-methyl-phenyl]-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propanamide

Systemtic Name: (2S)-N-[5-(dimethylsulfamoyl)-2-methyl-phenyl]-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propanamide Openeye Name: (2S)-N-[5-(dimethylsulfamoyl)-2-methyl-phenyl]-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propanamide CAS Name: (2S)-N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]propanamide IUPAC Name: (2S)-N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propanamide Traditional Name: (2S)-N-[5-(dimethylsulfamoyl)-2-methyl-phenyl]-2-[4-(2-pyrimidyl)piperazin-1-ium-1-yl]propionamide Formula: C20H29N6O3S+ MolecularWeight: 433.54766

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H28N6O3S/c1-15-6-7-17(30(28,29)24(3)4)14-18(15)23-19(27)16(2)25-10-12-26(13-11-25)20-21-8-5-9-22-20/h5-9,14,16H,10-13H2,1-4H3,(H,23,27)/p+1/t16-/m0/s1