(2R)-2-[(3-cyanophenyl)methylsulfonyl]propanoic acid

Systemtic Name: (2R)-2-[(3-cyanophenyl)methylsulfonyl]propanoic acid Openeye Name: (2R)-2-[(3-cyanophenyl)methylsulfonyl]propanoic acid CAS Name: (2R)-2-[(3-cyanophenyl)methylsulfonyl]propanoic acid IUPAC Name: (2R)-2-[(3-cyanophenyl)methylsulfonyl]propanoic acid Traditional Name: (2R)-2-(3-cyanobenzyl)sulfonylpropionic acid Formula: C11H11NO4S MolecularWeight: 253.27434

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)S(=O)(=O)CC1=CC=CC(=C1)C#N

Isomeric SMILES

C[C@H](C(=O)O)S(=O)(=O)CC1=CC=CC(=C1)C#N

InChI

InChI=1S/C11H11NO4S/c1-8(11(13)14)17(15,16)7-10-4-2-3-9(5-10)6-12/h2-5,8H,7H2,1H3,(H,13,14)/t8-/m1/s1