3-methyl-2-[(3-methylphenyl)sulfonylamino]-3-sulfanyl-butanoic acid

Systemtic Name: 3-methyl-2-[(3-methylphenyl)sulfonylamino]-3-sulfanyl-butanoic acid Openeye Name: 3-methyl-2-(m-tolylsulfonylamino)-3-sulfanyl-butanoic acid CAS Name: 3-mercapto-3-methyl-2-[(3-methylphenyl)sulfonylamino]butanoic acid IUPAC Name: 3-methyl-2-[(3-methylphenyl)sulfonylamino]-3-sulfanylbutanoic acid Traditional Name: 3-mercapto-3-methyl-2-(m-tolylsulfonylamino)butyric acid Formula: C12H17NO4S2 MolecularWeight: 303.39768

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H17NO4S2/c1-8-5-4-6-9(7-8)19(16,17)13-10(11(14)15)12(2,3)18/h4-7,10,13,18H,1-3H3,(H,14,15)