4-methylsulfanyl-2-[(4-propan-2-ylphenyl)sulfonylamino]butanoic acid

Systemtic Name: 4-methylsulfanyl-2-[(4-propan-2-ylphenyl)sulfonylamino]butanoic acid Openeye Name: 2-[(4-isopropylphenyl)sulfonylamino]-4-methylsulfanyl-butanoic acid CAS Name: 4-(methylthio)-2-[(4-propan-2-ylphenyl)sulfonylamino]butanoic acid IUPAC Name: 4-methylsulfanyl-2-[(4-propan-2-ylphenyl)sulfonylamino]butanoic acid Traditional Name: 4-(methylthio)-2-(p-cumenylsulfonylamino)butyric acid Formula: C14H21NO4S2 MolecularWeight: 331.45084

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H21NO4S2/c1-10(2)11-4-6-12(7-5-11)21(18,19)15-13(14(16)17)8-9-20-3/h4-7,10,13,15H,8-9H2,1-3H3,(H,16,17)