methyl (2R,4R,5R)-5-cyclohexyl-4-(phenylsulfonyl)pyrrolidine-2-carboxylate

Systemtic Name: methyl (2R,4R,5R)-5-cyclohexyl-4-(phenylsulfonyl)pyrrolidine-2-carboxylate Openeye Name: methyl (2R,4R,5R)-4-(benzenesulfonyl)-5-cyclohexyl-pyrrolidine-2-carboxylate CAS Name: (2R,4R,5R)-4-(benzenesulfonyl)-5-cyclohexyl-2-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl (2R,4R,5R)-4-(benzenesulfonyl)-5-cyclohexylpyrrolidine-2-carboxylate Traditional Name: (2R,4R,5R)-4-besyl-5-cyclohexyl-pyrrolidine-2-carboxylic acid methyl ester Formula: C18H25NO4S MolecularWeight: 351.4604

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC(C(N1)C2CCCCC2)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

COC(=O)[C@H]1C[C@H]([C@H](N1)C2CCCCC2)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C18H25NO4S/c1-23-18(20)15-12-16(17(19-15)13-8-4-2-5-9-13)24(21,22)14-10-6-3-7-11-14/h3,6-7,10-11,13,15-17,19H,2,4-5,8-9,12H2,1H3/t15-,16-,17-/m1/s1