3-[(2,6-diethylphenyl)sulfamoyl]propanoic acid

Systemtic Name: 3-[(2,6-diethylphenyl)sulfamoyl]propanoic acid Openeye Name: 3-[(2,6-diethylphenyl)sulfamoyl]propanoic acid CAS Name: 3-[(2,6-diethylphenyl)sulfamoyl]propanoic acid IUPAC Name: 3-[(2,6-diethylphenyl)sulfamoyl]propanoic acid Traditional Name: 3-[(2,6-diethylphenyl)sulfamoyl]propionic acid Formula: C13H19NO4S MolecularWeight: 285.35926

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC=C1)CC)NS(=O)(=O)CCC(=O)O

Isomeric SMILES

CCC1=C(C(=CC=C1)CC)NS(=O)(=O)CCC(=O)O

InChI

InChI=1S/C13H19NO4S/c1-3-10-6-5-7-11(4-2)13(10)14-19(17,18)9-8-12(15)16/h5-7,14H,3-4,8-9H2,1-2H3,(H,15,16)