3-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanoic acid

Systemtic Name: 3-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanoic acid Openeye Name: 3-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanoic acid CAS Name: 3-[4-(2-pyrimidinylsulfamoyl)phenyl]propanoic acid IUPAC Name: 3-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanoic acid Traditional Name: 3-[4-(2-pyrimidylsulfamoyl)phenyl]propionic acid Formula: C13H13N3O4S MolecularWeight: 307.32502

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN=C(N=C1)NS(=O)(=O)C2=CC=C(C=C2)CCC(=O)O

Isomeric SMILES

C1=CN=C(N=C1)NS(=O)(=O)C2=CC=C(C=C2)CCC(=O)O

InChI

InChI=1S/C13H13N3O4S/c17-12(18)7-4-10-2-5-11(6-3-10)21(19,20)16-13-14-8-1-9-15-13/h1-3,5-6,8-9H,4,7H2,(H,17,18)(H,14,15,16)