tert-butyl (2R,3S,5R)-2-ethenyl-3-(4-methylphenyl)sulfonyl-5-[(E)-oct-1-enyl]pyrrolidine-1-carboxylate

Systemtic Name: tert-butyl (2R,3S,5R)-2-ethenyl-3-(4-methylphenyl)sulfonyl-5-[(E)-oct-1-enyl]pyrrolidine-1-carboxylate Openeye Name: tert-butyl (2R,3S,5R)-5-[(E)-oct-1-enyl]-3-(p-tolylsulfonyl)-2-vinyl-pyrrolidine-1-carboxylate CAS Name: (2R,3S,5R)-2-ethenyl-3-(4-methylphenyl)sulfonyl-5-[(E)-oct-1-enyl]-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (2R,3S,5R)-2-ethenyl-3-(4-methylphenyl)sulfonyl-5-[(E)-oct-1-enyl]pyrrolidine-1-carboxylate Traditional Name: (2R,3S,5R)-5-[(E)-oct-1-enyl]-3-tosyl-2-vinyl-pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C26H39NO4S MolecularWeight: 461.65716

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC=CC1CC(C(N1C(=O)OC(C)(C)C)C=C)S(=O)(=O)C2=CC=C(C=C2)C

Isomeric SMILES

CCCCCC/C=C/[C@H]1C[C@@H]([C@H](N1C(=O)OC(C)(C)C)C=C)S(=O)(=O)C2=CC=C(C=C2)C

InChI

InChI=1S/C26H39NO4S/c1-7-9-10-11-12-13-14-21-19-24(32(29,30)22-17-15-20(3)16-18-22)23(8-2)27(21)25(28)31-26(4,5)6/h8,13-18,21,23-24H,2,7,9-12,19H2,1,3-6H3/b14-13+/t21-,23+,24-/m0/s1