2-pyridin-1-ium-1-yl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide

Systemtic Name: 2-pyridin-1-ium-1-yl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide Openeye Name: 2-pyridin-1-ium-1-yl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide CAS Name: 2-(1-pyridin-1-iumyl)-N-[4-(2-pyrimidinylsulfamoyl)phenyl]propanamide IUPAC Name: 2-pyridin-1-ium-1-yl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide Traditional Name: 2-pyridin-1-ium-1-yl-N-[4-(2-pyrimidylsulfamoyl)phenyl]propionamide Formula: C18H18N5O3S+ MolecularWeight: 384.43222

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)NC2=NC=CC=N2)[N+]3=CC=CC=C3

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)NC2=NC=CC=N2)[N+]3=CC=CC=C3

InChI

InChI=1S/C18H17N5O3S/c1-14(23-12-3-2-4-13-23)17(24)21-15-6-8-16(9-7-15)27(25,26)22-18-19-10-5-11-20-18/h2-14H,1H3,(H-,19,20,21,22,24)/p+1