tert-butyl N-[(2S,3S,4S)-3-bromanyl-4-oxidanyl-1-[(R)-phenylsulfinyl]octan-2-yl]carbamate

Systemtic Name: tert-butyl N-[(2S,3S,4S)-3-bromanyl-4-oxidanyl-1-[(R)-phenylsulfinyl]octan-2-yl]carbamate Openeye Name: tert-butyl N-[(1S,2S,3S)-2-bromo-3-hydroxy-1-[[(R)-phenylsulfinyl]methyl]heptyl]carbamate CAS Name: N-[(2S,3S,4S)-3-bromo-4-hydroxy-1-[(R)-phenylsulfinyl]octan-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(2S,3S,4S)-3-bromo-4-hydroxy-1-[(R)-phenylsulfinyl]octan-2-yl]carbamate Traditional Name: N-[(1S,2S,3S)-2-bromo-3-hydroxy-1-[[(R)-phenylsulfinyl]methyl]heptyl]carbamic acid tert-butyl ester Formula: C19H30BrNO4S MolecularWeight: 448.4148

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(C(CS(=O)C1=CC=CC=C1)NC(=O)OC(C)(C)C)Br)O

Isomeric SMILES

CCCC[C@@H]([C@H]([C@H](C[S@@](=O)C1=CC=CC=C1)NC(=O)OC(C)(C)C)Br)O

InChI

InChI=1S/C19H30BrNO4S/c1-5-6-12-16(22)17(20)15(21-18(23)25-19(2,3)4)13-26(24)14-10-8-7-9-11-14/h7-11,15-17,22H,5-6,12-13H2,1-4H3,(H,21,23)/t15-,16-,17-,26+/m0/s1