3-[4-[(3-iodanylphenyl)sulfamoyl]pyrazol-1-yl]propanoic acid

Systemtic Name: 3-[4-[(3-iodanylphenyl)sulfamoyl]pyrazol-1-yl]propanoic acid Openeye Name: 3-[4-[(3-iodophenyl)sulfamoyl]pyrazol-1-yl]propanoic acid CAS Name: 3-[4-[(3-iodophenyl)sulfamoyl]-1-pyrazolyl]propanoic acid IUPAC Name: 3-[4-[(3-iodophenyl)sulfamoyl]pyrazol-1-yl]propanoic acid Traditional Name: 3-[4-[(3-iodophenyl)sulfamoyl]pyrazol-1-yl]propionic acid Formula: C12H12IN3O4S MolecularWeight: 421.21085

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H12IN3O4S/c13-9-2-1-3-10(6-9)15-21(19,20)11-7-14-16(8-11)5-4-12(17)18/h1-3,6-8,15H,4-5H2,(H,17,18)