[2-[(2,3-dimethylcyclohexyl)amino]-2-oxidanylidene-ethyl] (2S)-1-(4-methylphenyl)sulfonyl-4-oxidanyl-pyrrolidine-2-carboxylate

Systemtic Name: [2-[(2,3-dimethylcyclohexyl)amino]-2-oxidanylidene-ethyl] (2S)-1-(4-methylphenyl)sulfonyl-4-oxidanyl-pyrrolidine-2-carboxylate Openeye Name: [2-[(2,3-dimethylcyclohexyl)amino]-2-oxo-ethyl] (2S)-4-hydroxy-1-(p-tolylsulfonyl)pyrrolidine-2-carboxylate CAS Name: (2S)-4-hydroxy-1-(4-methylphenyl)sulfonyl-2-pyrrolidinecarboxylic acid [2-[(2,3-dimethylcyclohexyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(2,3-dimethylcyclohexyl)amino]-2-oxoethyl] (2S)-4-hydroxy-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxylate Traditional Name: (2S)-4-hydroxy-1-tosyl-pyrrolidine-2-carboxylic acid [2-[(2,3-dimethylcyclohexyl)amino]-2-keto-ethyl] ester Formula: C22H32N2O6S MolecularWeight: 452.56428

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(C1C)NC(=O)COC(=O)C2CC(CN2S(=O)(=O)C3=CC=C(C=C3)C)O

Isomeric SMILES

CC1CCCC(C1C)NC(=O)COC(=O)[C@@H]2CC(CN2S(=O)(=O)C3=CC=C(C=C3)C)O

InChI

InChI=1S/C22H32N2O6S/c1-14-7-9-18(10-8-14)31(28,29)24-12-17(25)11-20(24)22(27)30-13-21(26)23-19-6-4-5-15(2)16(19)3/h7-10,15-17,19-20,25H,4-6,11-13H2,1-3H3,(H,23,26)/t15?,16?,17?,19?,20-/m0/s1