methyl (2S)-1-[[3-(cyclohexylmethyl)-2-methylsulfonyl-imidazol-4-yl]methyl]pyrrolidine-2-carboxylate

Systemtic Name: methyl (2S)-1-[[3-(cyclohexylmethyl)-2-methylsulfonyl-imidazol-4-yl]methyl]pyrrolidine-2-carboxylate Openeye Name: methyl (2S)-1-[[3-(cyclohexylmethyl)-2-methylsulfonyl-imidazol-4-yl]methyl]pyrrolidine-2-carboxylate CAS Name: (2S)-1-[[3-(cyclohexylmethyl)-2-methylsulfonyl-4-imidazolyl]methyl]-2-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl (2S)-1-[[3-(cyclohexylmethyl)-2-methylsulfonylimidazol-4-yl]methyl]pyrrolidine-2-carboxylate Traditional Name: (2S)-1-[[3-(cyclohexylmethyl)-2-mesyl-imidazol-4-yl]methyl]pyrrolidine-2-carboxylic acid methyl ester Formula: C18H29N3O4S MolecularWeight: 383.50556

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCCN1CC2=CN=C(N2CC3CCCCC3)S(=O)(=O)C

Isomeric SMILES

COC(=O)[C@@H]1CCCN1CC2=CN=C(N2CC3CCCCC3)S(=O)(=O)C

InChI

InChI=1S/C18H29N3O4S/c1-25-17(22)16-9-6-10-20(16)13-15-11-19-18(26(2,23)24)21(15)12-14-7-4-3-5-8-14/h11,14,16H,3-10,12-13H2,1-2H3/t16-/m0/s1