(2S,3R)-1-(4-methylphenyl)sulfonyl-2-phenyl-pyrrolidine-3-carboxylic acid

Systemtic Name: (2S,3R)-1-(4-methylphenyl)sulfonyl-2-phenyl-pyrrolidine-3-carboxylic acid Openeye Name: (2S,3R)-2-phenyl-1-(p-tolylsulfonyl)pyrrolidine-3-carboxylic acid CAS Name: (2S,3R)-1-(4-methylphenyl)sulfonyl-2-phenyl-3-pyrrolidinecarboxylic acid IUPAC Name: (2S,3R)-1-(4-methylphenyl)sulfonyl-2-phenylpyrrolidine-3-carboxylic acid Traditional Name: (2S,3R)-2-phenyl-1-tosyl-pyrrolidine-3-carboxylic acid Formula: C18H19NO4S MolecularWeight: 345.41276

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(C2C3=CC=CC=C3)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CC[C@H]([C@H]2C3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C18H19NO4S/c1-13-7-9-15(10-8-13)24(22,23)19-12-11-16(18(20)21)17(19)14-5-3-2-4-6-14/h2-10,16-17H,11-12H2,1H3,(H,20,21)/t16-,17-/m1/s1