ethyl (2S,5R)-5-(2-bromoethyl)-1-(4-methylphenyl)sulfonyl-pyrrolidine-2-carboxylate

Systemtic Name: ethyl (2S,5R)-5-(2-bromoethyl)-1-(4-methylphenyl)sulfonyl-pyrrolidine-2-carboxylate Openeye Name: ethyl (2S,5R)-5-(2-bromoethyl)-1-(p-tolylsulfonyl)pyrrolidine-2-carboxylate CAS Name: (2S,5R)-5-(2-bromoethyl)-1-(4-methylphenyl)sulfonyl-2-pyrrolidinecarboxylic acid ethyl ester IUPAC Name: ethyl (2S,5R)-5-(2-bromoethyl)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxylate Traditional Name: (2S,5R)-5-(2-bromoethyl)-1-tosyl-pyrrolidine-2-carboxylic acid ethyl ester Formula: C16H22BrNO4S MolecularWeight: 404.31918

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCC(N1S(=O)(=O)C2=CC=C(C=C2)C)CCBr

Isomeric SMILES

CCOC(=O)[C@@H]1CC[C@@H](N1S(=O)(=O)C2=CC=C(C=C2)C)CCBr

InChI

InChI=1S/C16H22BrNO4S/c1-3-22-16(19)15-9-6-13(10-11-17)18(15)23(20,21)14-7-4-12(2)5-8-14/h4-5,7-8,13,15H,3,6,9-11H2,1-2H3/t13-,15+/m1/s1