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

Systemtic Name: (2S)-N-[4-chloranyl-3-(dimethylsulfamoyl)phenyl]-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propanamide Openeye Name: (2S)-N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propanamide CAS Name: (2S)-N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]propanamide IUPAC Name: (2S)-N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propanamide Traditional Name: (2S)-N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-[4-(2-pyrimidyl)piperazin-1-ium-1-yl]propionamide Formula: C19H26ClN6O3S+ MolecularWeight: 453.96614

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H25ClN6O3S/c1-14(25-9-11-26(12-10-25)19-21-7-4-8-22-19)18(27)23-15-5-6-16(20)17(13-15)30(28,29)24(2)3/h4-8,13-14H,9-12H2,1-3H3,(H,23,27)/p+1/t14-/m0/s1