2-[(2,4-dimethylphenyl)sulfonylamino]-3-methyl-pentanoic acid

Systemtic Name: 2-[(2,4-dimethylphenyl)sulfonylamino]-3-methyl-pentanoic acid Openeye Name: 2-[(2,4-dimethylphenyl)sulfonylamino]-3-methyl-pentanoic acid CAS Name: 2-[(2,4-dimethylphenyl)sulfonylamino]-3-methylpentanoic acid IUPAC Name: 2-[(2,4-dimethylphenyl)sulfonylamino]-3-methylpentanoic acid Traditional Name: 2-[(2,4-dimethylphenyl)sulfonylamino]-3-methyl-valeric acid Formula: C14H21NO4S MolecularWeight: 299.38584

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)O)NS(=O)(=O)C1=C(C=C(C=C1)C)C

Isomeric SMILES

CCC(C)C(C(=O)O)NS(=O)(=O)C1=C(C=C(C=C1)C)C

InChI

InChI=1S/C14H21NO4S/c1-5-10(3)13(14(16)17)15-20(18,19)12-7-6-9(2)8-11(12)4/h6-8,10,13,15H,5H2,1-4H3,(H,16,17)