2-azanyl-2-(4-methylphenyl)sulfonyl-5-oxidanylidene-pentanoic acid

Systemtic Name: 2-azanyl-2-(4-methylphenyl)sulfonyl-5-oxidanylidene-pentanoic acid Openeye Name: 2-amino-5-oxo-2-(p-tolylsulfonyl)pentanoic acid CAS Name: 2-amino-2-(4-methylphenyl)sulfonyl-5-oxopentanoic acid IUPAC Name: 2-amino-2-(4-methylphenyl)sulfonyl-5-oxopentanoic acid Traditional Name: 2-amino-5-keto-2-tosyl-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)C(CCC=O)(C(=O)O)N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C(CCC=O)(C(=O)O)N

InChI

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