1-(5-bromanylthiophen-2-yl)sulfonylpyrrolidine-2-carboxylic acid; (2S)-pyrrolidine-2-carboxylic acid

Systemtic Name: 1-(5-bromanylthiophen-2-yl)sulfonylpyrrolidine-2-carboxylic acid; (2S)-pyrrolidine-2-carboxylic acid Openeye Name: 1-[(5-bromo-2-thienyl)sulfonyl]pyrrolidine-2-carboxylic acid; (2S)-pyrrolidine-2-carboxylic acid CAS Name: 1-[(5-bromo-2-thiophenyl)sulfonyl]-2-pyrrolidinecarboxylic acid; (2S)-2-pyrrolidinecarboxylic acid IUPAC Name: 1-(5-bromothiophen-2-yl)sulfonylpyrrolidine-2-carboxylic acid; (2S)-pyrrolidine-2-carboxylic acid Traditional Name: 1-[(5-bromo-2-thienyl)sulfonyl]proline; (2S)-proline Formula: C14H19BrN2O6S2 MolecularWeight: 455.34446

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(NC1)C(=O)O.C1CC(N(C1)S(=O)(=O)C2=CC=C(S2)Br)C(=O)O

Isomeric SMILES

C1C[C@H](NC1)C(=O)O.C1CC(N(C1)S(=O)(=O)C2=CC=C(S2)Br)C(=O)O

InChI

InChI=1S/C9H10BrNO4S2.C5H9NO2/c10-7-3-4-8(16-7)17(14,15)11-5-1-2-6(11)9(12)13;7-5(8)4-2-1-3-6-4/h3-4,6H,1-2,5H2,(H,12,13);4,6H,1-3H2,(H,7,8)/t;4-/m.0/s1