4-bromanyl-N-[(3S,4S)-3-methyl-5-oxidanyl-5-pentyl-decan-4-yl]benzenesulfonamide

Systemtic Name: 4-bromanyl-N-[(3S,4S)-3-methyl-5-oxidanyl-5-pentyl-decan-4-yl]benzenesulfonamide Openeye Name: 4-bromo-N-[(1S)-2-hydroxy-1-[(1S)-1-methylpropyl]-2-pentyl-heptyl]benzenesulfonamide CAS Name: 4-bromo-N-[(3S,4S)-5-hydroxy-3-methyl-5-pentyldecan-4-yl]benzenesulfonamide IUPAC Name: 4-bromo-N-[(3S,4S)-5-hydroxy-3-methyl-5-pentyldecan-4-yl]benzenesulfonamide Traditional Name: N-[(1S)-2-amyl-2-hydroxy-1-[(1S)-1-methylpropyl]heptyl]-4-bromo-benzenesulfonamide Formula: C22H38BrNO3S MolecularWeight: 476.51102

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(CCCCC)(C(C(C)CC)NS(=O)(=O)C1=CC=C(C=C1)Br)O

Isomeric SMILES

CCCCCC(CCCCC)([C@H]([C@@H](C)CC)NS(=O)(=O)C1=CC=C(C=C1)Br)O

InChI

InChI=1S/C22H38BrNO3S/c1-5-8-10-16-22(25,17-11-9-6-2)21(18(4)7-3)24-28(26,27)20-14-12-19(23)13-15-20/h12-15,18,21,24-25H,5-11,16-17H2,1-4H3/t18-,21-/m0/s1