(4-pyrazol-1-ylphenyl)methyl (2S)-1-(3,4-dimethylphenyl)sulfonyl-4-oxidanyl-pyrrolidine-2-carboxylate

Systemtic Name: (4-pyrazol-1-ylphenyl)methyl (2S)-1-(3,4-dimethylphenyl)sulfonyl-4-oxidanyl-pyrrolidine-2-carboxylate Openeye Name: (4-pyrazol-1-ylphenyl)methyl (2S)-1-(3,4-dimethylphenyl)sulfonyl-4-hydroxy-pyrrolidine-2-carboxylate CAS Name: (2S)-1-(3,4-dimethylphenyl)sulfonyl-4-hydroxy-2-pyrrolidinecarboxylic acid [4-(1-pyrazolyl)phenyl]methyl ester IUPAC Name: (4-pyrazol-1-ylphenyl)methyl (2S)-1-(3,4-dimethylphenyl)sulfonyl-4-hydroxypyrrolidine-2-carboxylate Traditional Name: (2S)-1-(3,4-dimethylphenyl)sulfonyl-4-hydroxy-pyrrolidine-2-carboxylic acid (4-pyrazol-1-ylbenzyl) ester Formula: C23H25N3O5S MolecularWeight: 455.5267

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CC(CC2C(=O)OCC3=CC=C(C=C3)N4C=CC=N4)O)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CC(C[C@H]2C(=O)OCC3=CC=C(C=C3)N4C=CC=N4)O)C

InChI

InChI=1S/C23H25N3O5S/c1-16-4-9-21(12-17(16)2)32(29,30)26-14-20(27)13-22(26)23(28)31-15-18-5-7-19(8-6-18)25-11-3-10-24-25/h3-12,20,22,27H,13-15H2,1-2H3/t20?,22-/m0/s1