5-azanyl-2-[(3-methylphenyl)sulfonylamino]-5-oxidanylidene-pentanoic acid

Systemtic Name: 5-azanyl-2-[(3-methylphenyl)sulfonylamino]-5-oxidanylidene-pentanoic acid Openeye Name: 5-amino-2-(m-tolylsulfonylamino)-5-oxo-pentanoic acid CAS Name: 5-amino-2-[(3-methylphenyl)sulfonylamino]-5-oxopentanoic acid IUPAC Name: 5-amino-2-[(3-methylphenyl)sulfonylamino]-5-oxopentanoic acid Traditional Name: 5-amino-5-keto-2-(m-tolylsulfonylamino)valeric acid Formula: C12H16N2O5S MolecularWeight: 300.33084

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H16N2O5S/c1-8-3-2-4-9(7-8)20(18,19)14-10(12(16)17)5-6-11(13)15/h2-4,7,10,14H,5-6H2,1H3,(H2,13,15)(H,16,17)