5-[(2-chloranyl-5-methylsulfonyl-phenyl)amino]-5-oxidanylidene-pentanoic acid

Systemtic Name: 5-[(2-chloranyl-5-methylsulfonyl-phenyl)amino]-5-oxidanylidene-pentanoic acid Openeye Name: 5-(2-chloro-5-methylsulfonyl-anilino)-5-oxo-pentanoic acid CAS Name: 5-(2-chloro-5-methylsulfonylanilino)-5-oxopentanoic acid IUPAC Name: 5-(2-chloro-5-methylsulfonylanilino)-5-oxopentanoic acid Traditional Name: 5-(2-chloro-5-mesyl-anilino)-5-keto-valeric acid Formula: C12H14ClNO5S MolecularWeight: 319.76126

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)Cl)NC(=O)CCCC(=O)O

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)Cl)NC(=O)CCCC(=O)O

InChI

InChI=1S/C12H14ClNO5S/c1-20(18,19)8-5-6-9(13)10(7-8)14-11(15)3-2-4-12(16)17/h5-7H,2-4H2,1H3,(H,14,15)(H,16,17)