(2S)-2-[(4-methylphenyl)sulfonylamino]-4-oxidanylidene-pentanoic acid

Systemtic Name: (2S)-2-[(4-methylphenyl)sulfonylamino]-4-oxidanylidene-pentanoic acid Openeye Name: (2S)-4-oxo-2-(p-tolylsulfonylamino)pentanoic acid CAS Name: (2S)-2-[(4-methylphenyl)sulfonylamino]-4-oxopentanoic acid IUPAC Name: (2S)-2-[(4-methylphenyl)sulfonylamino]-4-oxopentanoic acid Traditional Name: (2S)-4-keto-2-(tosylamino)valeric acid Formula: C12H15NO5S MolecularWeight: 285.3162

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N[C@@H](CC(=O)C)C(=O)O

InChI

InChI=1S/C12H15NO5S/c1-8-3-5-10(6-4-8)19(17,18)13-11(12(15)16)7-9(2)14/h3-6,11,13H,7H2,1-2H3,(H,15,16)/t11-/m0/s1