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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H17NO4S2/c1-12(2,18)10(11(14)15)13-19(16,17)8-9-6-4-3-5-7-9/h3-7,10,13,18H,8H2,1-2H3,(H,14,15)