N-[(2S,3S,4S)-3-bromanyl-4-oxidanyl-1-[(R)-phenylsulfinyl]octan-2-yl]-4-methyl-benzenesulfonamide

Systemtic Name: N-[(2S,3S,4S)-3-bromanyl-4-oxidanyl-1-[(R)-phenylsulfinyl]octan-2-yl]-4-methyl-benzenesulfonamide Openeye Name: N-[(1S,2S,3S)-2-bromo-3-hydroxy-1-[[(R)-phenylsulfinyl]methyl]heptyl]-4-methyl-benzenesulfonamide CAS Name: N-[(2S,3S,4S)-3-bromo-4-hydroxy-1-[(R)-phenylsulfinyl]octan-2-yl]-4-methylbenzenesulfonamide IUPAC Name: N-[(2S,3S,4S)-3-bromo-4-hydroxy-1-[(R)-phenylsulfinyl]octan-2-yl]-4-methylbenzenesulfonamide Traditional Name: N-[(1S,2S,3S)-2-bromo-3-hydroxy-1-[[(R)-phenylsulfinyl]methyl]heptyl]-4-methyl-benzenesulfonamide Formula: C21H28BrNO4S2 MolecularWeight: 502.48532

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(C(CS(=O)C1=CC=CC=C1)NS(=O)(=O)C2=CC=C(C=C2)C)Br)O

Isomeric SMILES

CCCC[C@@H]([C@H]([C@H](C[S@@](=O)C1=CC=CC=C1)NS(=O)(=O)C2=CC=C(C=C2)C)Br)O

InChI

InChI=1S/C21H28BrNO4S2/c1-3-4-10-20(24)21(22)19(15-28(25)17-8-6-5-7-9-17)23-29(26,27)18-13-11-16(2)12-14-18/h5-9,11-14,19-21,23-24H,3-4,10,15H2,1-2H3/t19-,20-,21-,28+/m0/s1