2-[(4-tert-butylphenyl)sulfonylamino]-3-methylsulfanyl-propanoic acid

Systemtic Name: 2-[(4-tert-butylphenyl)sulfonylamino]-3-methylsulfanyl-propanoic acid Openeye Name: 2-[(4-tert-butylphenyl)sulfonylamino]-3-methylsulfanyl-propanoic acid CAS Name: 2-[(4-tert-butylphenyl)sulfonylamino]-3-(methylthio)propanoic acid IUPAC Name: 2-[(4-tert-butylphenyl)sulfonylamino]-3-methylsulfanylpropanoic acid Traditional Name: 2-[(4-tert-butylphenyl)sulfonylamino]-3-(methylthio)propionic acid Formula: C14H21NO4S2 MolecularWeight: 331.45084

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H21NO4S2/c1-14(2,3)10-5-7-11(8-6-10)21(18,19)15-12(9-20-4)13(16)17/h5-8,12,15H,9H2,1-4H3,(H,16,17)