1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxylic acid hydrate

Systemtic Name: 1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxylic acid hydrate Openeye Name: 1-(p-tolylsulfonyl)pyrrolidine-2-carboxylic acid hydrate CAS Name: 1-(4-methylphenyl)sulfonyl-2-pyrrolidinecarboxylic acid hydrate IUPAC Name: 1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxylic acid hydrate Traditional Name: 1-tosylproline hydrate Formula: C12H17NO5S MolecularWeight: 287.33208

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H15NO4S.H2O/c1-9-4-6-10(7-5-9)18(16,17)13-8-2-3-11(13)12(14)15;/h4-7,11H,2-3,8H2,1H3,(H,14,15);1H2