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

Systemtic Name: 3-[4-[butan-2-yl(methyl)sulfamoyl]phenyl]propanoic acid Openeye Name: 3-[4-[methyl(sec-butyl)sulfamoyl]phenyl]propanoic acid CAS Name: 3-[4-[butan-2-yl(methyl)sulfamoyl]phenyl]propanoic acid IUPAC Name: 3-[4-[butan-2-yl(methyl)sulfamoyl]phenyl]propanoic acid Traditional Name: 3-[4-[methyl(sec-butyl)sulfamoyl]phenyl]propionic acid Formula: C14H21NO4S MolecularWeight: 299.38584

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H21NO4S/c1-4-11(2)15(3)20(18,19)13-8-5-12(6-9-13)7-10-14(16)17/h5-6,8-9,11H,4,7,10H2,1-3H3,(H,16,17)