tert-butyl (4S)-2,2-dimethyl-4-[(E)-2-(phenylsulfonyl)hexadec-4-enoyl]-1,3-oxazolidine-3-carboxylate

Systemtic Name: tert-butyl (4S)-2,2-dimethyl-4-[(E)-2-(phenylsulfonyl)hexadec-4-enoyl]-1,3-oxazolidine-3-carboxylate Openeye Name: tert-butyl (4S)-4-[(E)-2-(benzenesulfonyl)hexadec-4-enoyl]-2,2-dimethyl-oxazolidine-3-carboxylate CAS Name: (4S)-4-[(E)-2-(benzenesulfonyl)-1-oxohexadec-4-enyl]-2,2-dimethyl-3-oxazolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (4S)-4-[(E)-2-(benzenesulfonyl)hexadec-4-enoyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate Traditional Name: (4S)-4-[(E)-2-besylhexadec-4-enoyl]-2,2-dimethyl-oxazolidine-3-carboxylic acid tert-butyl ester Formula: C32H51NO6S MolecularWeight: 577.81544

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC=CCC(C(=O)C1COC(N1C(=O)OC(C)(C)C)(C)C)S(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

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

InChI

InChI=1S/C32H51NO6S/c1-7-8-9-10-11-12-13-14-15-16-17-21-24-28(40(36,37)26-22-19-18-20-23-26)29(34)27-25-38-32(5,6)33(27)30(35)39-31(2,3)4/h17-23,27-28H,7-16,24-25H2,1-6H3/b21-17+/t27-,28?/m0/s1