(2S)-N-[3-(diethylsulfamoyl)-4-methyl-phenyl]-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propanamide

Systemtic Name: (2S)-N-[3-(diethylsulfamoyl)-4-methyl-phenyl]-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propanamide Openeye Name: (2S)-N-[3-(diethylsulfamoyl)-4-methyl-phenyl]-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propanamide CAS Name: (2S)-N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]propanamide IUPAC Name: (2S)-N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propanamide Traditional Name: (2S)-N-[3-(diethylsulfamoyl)-4-methyl-phenyl]-2-[4-(2-pyrimidyl)piperazin-1-ium-1-yl]propionamide Formula: C22H33N6O3S+ MolecularWeight: 461.60082

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H32N6O3S/c1-5-28(6-2)32(30,31)20-16-19(9-8-17(20)3)25-21(29)18(4)26-12-14-27(15-13-26)22-23-10-7-11-24-22/h7-11,16,18H,5-6,12-15H2,1-4H3,(H,25,29)/p+1/t18-/m0/s1