4-oxidanyl-1-phenethylsulfonyl-pyrrolidine-2-carboxylic acid

Systemtic Name: 4-oxidanyl-1-phenethylsulfonyl-pyrrolidine-2-carboxylic acid Openeye Name: 4-hydroxy-1-phenethylsulfonyl-pyrrolidine-2-carboxylic acid CAS Name: 4-hydroxy-1-phenethylsulfonyl-2-pyrrolidinecarboxylic acid IUPAC Name: 4-hydroxy-1-phenethylsulfonylpyrrolidine-2-carboxylic acid Traditional Name: 4-hydroxy-1-phenethylsulfonyl-proline Formula: C13H17NO5S MolecularWeight: 299.34278

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(CN(C1C(=O)O)S(=O)(=O)CCC2=CC=CC=C2)O

Isomeric SMILES

C1C(CN(C1C(=O)O)S(=O)(=O)CCC2=CC=CC=C2)O

InChI

InChI=1S/C13H17NO5S/c15-11-8-12(13(16)17)14(9-11)20(18,19)7-6-10-4-2-1-3-5-10/h1-5,11-12,15H,6-9H2,(H,16,17)