1-[1-(phenylsulfonyl)pyrrolidin-2-yl]carbonylpyrrolidine-2-carboxylic acid

Systemtic Name: 1-[1-(phenylsulfonyl)pyrrolidin-2-yl]carbonylpyrrolidine-2-carboxylic acid Openeye Name: 1-[1-(benzenesulfonyl)pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[[1-(benzenesulfonyl)-2-pyrrolidinyl]-oxomethyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[1-(benzenesulfonyl)pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-(1-besylprolyl)proline Formula: C16H20N2O5S MolecularWeight: 352.4054

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C2CCCN2S(=O)(=O)C3=CC=CC=C3)C(=O)O

Isomeric SMILES

C1CC(N(C1)C(=O)C2CCCN2S(=O)(=O)C3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C16H20N2O5S/c19-15(17-10-4-9-14(17)16(20)21)13-8-5-11-18(13)24(22,23)12-6-2-1-3-7-12/h1-3,6-7,13-14H,4-5,8-11H2,(H,20,21)