(2R,4S)-1-(3,4-dimethylphenyl)sulfonyl-4-oxidanyl-pyrrolidine-2-carboxylate

Systemtic Name: (2R,4S)-1-(3,4-dimethylphenyl)sulfonyl-4-oxidanyl-pyrrolidine-2-carboxylate Openeye Name: (2R,4S)-1-(3,4-dimethylphenyl)sulfonyl-4-hydroxy-pyrrolidine-2-carboxylate CAS Name: (2R,4S)-1-(3,4-dimethylphenyl)sulfonyl-4-hydroxy-2-pyrrolidinecarboxylate IUPAC Name: (2R,4S)-1-(3,4-dimethylphenyl)sulfonyl-4-hydroxypyrrolidine-2-carboxylate Traditional Name: (2R,4S)-1-(3,4-dimethylphenyl)sulfonyl-4-hydroxy-pyrrolidine-2-carboxylate Formula: C13H16NO5S- MolecularWeight: 298.33484

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CC(CC2C(=O)[O-])O)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2C[C@H](C[C@@H]2C(=O)[O-])O)C

InChI

InChI=1S/C13H17NO5S/c1-8-3-4-11(5-9(8)2)20(18,19)14-7-10(15)6-12(14)13(16)17/h3-5,10,12,15H,6-7H2,1-2H3,(H,16,17)/p-1/t10-,12+/m0/s1