1,3-bis(chloranyl)propan-2-one; (2S)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxylic acid

Systemtic Name: 1,3-bis(chloranyl)propan-2-one; (2S)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxylic acid Openeye Name: 1,3-dichloropropan-2-one; (2S)-1-(p-tolylsulfonyl)pyrrolidine-2-carboxylic acid CAS Name: 1,3-dichloro-2-propanone; (2S)-1-(4-methylphenyl)sulfonyl-2-pyrrolidinecarboxylic acid IUPAC Name: 1,3-dichloropropan-2-one; (2S)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxylic acid Traditional Name: 1,3-dichloroacetone; (2S)-1-tosylproline Formula: C15H19Cl2NO5S MolecularWeight: 396.28606

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCC2C(=O)O.C(C(=O)CCl)Cl

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC[C@H]2C(=O)O.C(C(=O)CCl)Cl

InChI

InChI=1S/C12H15NO4S.C3H4Cl2O/c1-9-4-6-10(7-5-9)18(16,17)13-8-2-3-11(13)12(14)15;4-1-3(6)2-5/h4-7,11H,2-3,8H2,1H3,(H,14,15);1-2H2/t11-;/m0./s1