tert-butyl (2S,3S,5R)-3-methylsulfonyloxy-5-nonyl-2-(phenylmethyl)pyrrolidine-1-carboxylate

Systemtic Name: tert-butyl (2S,3S,5R)-3-methylsulfonyloxy-5-nonyl-2-(phenylmethyl)pyrrolidine-1-carboxylate Openeye Name: tert-butyl (2S,3S,5R)-2-benzyl-3-methylsulfonyloxy-5-nonyl-pyrrolidine-1-carboxylate CAS Name: (2S,3S,5R)-3-methylsulfonyloxy-5-nonyl-2-(phenylmethyl)-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (2S,3S,5R)-2-benzyl-3-methylsulfonyloxy-5-nonylpyrrolidine-1-carboxylate Traditional Name: (2S,3S,5R)-2-benzyl-3-methylsulfonyloxy-5-nonyl-pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C26H43NO5S MolecularWeight: 481.68832

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1CC(C(N1C(=O)OC(C)(C)C)CC2=CC=CC=C2)OS(=O)(=O)C

Isomeric SMILES

CCCCCCCCC[C@@H]1C[C@@H]([C@@H](N1C(=O)OC(C)(C)C)CC2=CC=CC=C2)OS(=O)(=O)C

InChI

InChI=1S/C26H43NO5S/c1-6-7-8-9-10-11-15-18-22-20-24(32-33(5,29)30)23(19-21-16-13-12-14-17-21)27(22)25(28)31-26(2,3)4/h12-14,16-17,22-24H,6-11,15,18-20H2,1-5H3/t22-,23+,24+/m1/s1