3-[4-[methyl(pentan-2-yl)sulfamoyl]phenyl]propanoic acid

Systemtic Name: 3-[4-[methyl(pentan-2-yl)sulfamoyl]phenyl]propanoic acid Openeye Name: 3-[4-[methyl(1-methylbutyl)sulfamoyl]phenyl]propanoic acid CAS Name: 3-[4-[methyl(pentan-2-yl)sulfamoyl]phenyl]propanoic acid IUPAC Name: 3-[4-[methyl(pentan-2-yl)sulfamoyl]phenyl]propanoic acid Traditional Name: 3-[4-[methyl(1-methylbutyl)sulfamoyl]phenyl]propionic acid Formula: C15H23NO4S MolecularWeight: 313.41242

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)N(C)S(=O)(=O)C1=CC=C(C=C1)CCC(=O)O

Isomeric SMILES

CCCC(C)N(C)S(=O)(=O)C1=CC=C(C=C1)CCC(=O)O

InChI

InChI=1S/C15H23NO4S/c1-4-5-12(2)16(3)21(19,20)14-9-6-13(7-10-14)8-11-15(17)18/h6-7,9-10,12H,4-5,8,11H2,1-3H3,(H,17,18)