2-methyl-2-[(4-methylsulfonylphenyl)amino]pentanoic acid

Systemtic Name: 2-methyl-2-[(4-methylsulfonylphenyl)amino]pentanoic acid Openeye Name: 2-methyl-2-(4-methylsulfonylanilino)pentanoic acid CAS Name: 2-methyl-2-(4-methylsulfonylanilino)pentanoic acid IUPAC Name: 2-methyl-2-(4-methylsulfonylanilino)pentanoic acid Traditional Name: 2-(4-mesylanilino)-2-methyl-valeric acid Formula: C13H19NO4S MolecularWeight: 285.35926

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)(C(=O)O)NC1=CC=C(C=C1)S(=O)(=O)C

Isomeric SMILES

CCCC(C)(C(=O)O)NC1=CC=C(C=C1)S(=O)(=O)C

InChI

InChI=1S/C13H19NO4S/c1-4-9-13(2,12(15)16)14-10-5-7-11(8-6-10)19(3,17)18/h5-8,14H,4,9H2,1-3H3,(H,15,16)