2-[(3-methylphenyl)sulfonylamino]-4-methylsulfonyl-butanoic acid

Systemtic Name: 2-[(3-methylphenyl)sulfonylamino]-4-methylsulfonyl-butanoic acid Openeye Name: 4-methylsulfonyl-2-(m-tolylsulfonylamino)butanoic acid CAS Name: 2-[(3-methylphenyl)sulfonylamino]-4-methylsulfonylbutanoic acid IUPAC Name: 2-[(3-methylphenyl)sulfonylamino]-4-methylsulfonylbutanoic acid Traditional Name: 4-mesyl-2-(m-tolylsulfonylamino)butyric acid Formula: C12H17NO6S2 MolecularWeight: 335.39648

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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