(2S)-1-[4-[methyl-(4-methylphenyl)sulfonyl-amino]phenyl]carbonylpyrrolidine-2-carboxylic acid

Systemtic Name: (2S)-1-[4-[methyl-(4-methylphenyl)sulfonyl-amino]phenyl]carbonylpyrrolidine-2-carboxylic acid Openeye Name: (2S)-1-[4-[methyl(p-tolylsulfonyl)amino]benzoyl]pyrrolidine-2-carboxylic acid CAS Name: (2S)-1-[[4-[methyl-(4-methylphenyl)sulfonylamino]phenyl]-oxomethyl]-2-pyrrolidinecarboxylic acid IUPAC Name: (2S)-1-[4-[methyl-(4-methylphenyl)sulfonylamino]benzoyl]pyrrolidine-2-carboxylic acid Traditional Name: (2S)-1-[4-[methyl(tosyl)amino]benzoyl]proline Formula: C20H22N2O5S MolecularWeight: 402.46408

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(C)C2=CC=C(C=C2)C(=O)N3CCCC3C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(C)C2=CC=C(C=C2)C(=O)N3CCC[C@H]3C(=O)O

InChI

InChI=1S/C20H22N2O5S/c1-14-5-11-17(12-6-14)28(26,27)21(2)16-9-7-15(8-10-16)19(23)22-13-3-4-18(22)20(24)25/h5-12,18H,3-4,13H2,1-2H3,(H,24,25)/t18-/m0/s1