2-[(4-methylphenyl)sulfonylamino]-4-methylsulfonyl-butanoic acid

Systemtic Name: 2-[(4-methylphenyl)sulfonylamino]-4-methylsulfonyl-butanoic acid Openeye Name: 4-methylsulfonyl-2-(p-tolylsulfonylamino)butanoic acid CAS Name: 2-[(4-methylphenyl)sulfonylamino]-4-methylsulfonylbutanoic acid IUPAC Name: 2-[(4-methylphenyl)sulfonylamino]-4-methylsulfonylbutanoic acid Traditional Name: 4-mesyl-2-(tosylamino)butyric acid Formula: C12H17NO6S2 MolecularWeight: 335.39648

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(CCS(=O)(=O)C)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC(CCS(=O)(=O)C)C(=O)O

InChI

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