3-[1-(4-methylsulfonylphenyl)ethylsulfamoyl]propanoic acid

Systemtic Name: 3-[1-(4-methylsulfonylphenyl)ethylsulfamoyl]propanoic acid Openeye Name: 3-[1-(4-methylsulfonylphenyl)ethylsulfamoyl]propanoic acid CAS Name: 3-[1-(4-methylsulfonylphenyl)ethylsulfamoyl]propanoic acid IUPAC Name: 3-[1-(4-methylsulfonylphenyl)ethylsulfamoyl]propanoic acid Traditional Name: 3-[1-(4-mesylphenyl)ethylsulfamoyl]propionic acid Formula: C12H17NO6S2 MolecularWeight: 335.39648

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H17NO6S2/c1-9(13-21(18,19)8-7-12(14)15)10-3-5-11(6-4-10)20(2,16)17/h3-6,9,13H,7-8H2,1-2H3,(H,14,15)