4-ethyl-1-(4-methylphenyl)sulfonyl-5-oxidanylidene-pyrrolidine-3-carboxylic acid

Systemtic Name: 4-ethyl-1-(4-methylphenyl)sulfonyl-5-oxidanylidene-pyrrolidine-3-carboxylic acid Openeye Name: 4-ethyl-5-oxo-1-(p-tolylsulfonyl)pyrrolidine-3-carboxylic acid CAS Name: 4-ethyl-1-(4-methylphenyl)sulfonyl-5-oxo-3-pyrrolidinecarboxylic acid IUPAC Name: 4-ethyl-1-(4-methylphenyl)sulfonyl-5-oxopyrrolidine-3-carboxylic acid Traditional Name: 4-ethyl-5-keto-1-tosyl-pyrrolidine-3-carboxylic acid Formula: C14H17NO5S MolecularWeight: 311.35348

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(CN(C1=O)S(=O)(=O)C2=CC=C(C=C2)C)C(=O)O

Isomeric SMILES

CCC1C(CN(C1=O)S(=O)(=O)C2=CC=C(C=C2)C)C(=O)O

InChI

InChI=1S/C14H17NO5S/c1-3-11-12(14(17)18)8-15(13(11)16)21(19,20)10-6-4-9(2)5-7-10/h4-7,11-12H,3,8H2,1-2H3,(H,17,18)