4-bromanyl-N-[(2S,3S,5S)-1-cyclohexyl-6-methyl-3,5-bis(oxidanyl)heptan-2-yl]benzamide

Systemtic Name: 4-bromanyl-N-[(2S,3S,5S)-1-cyclohexyl-6-methyl-3,5-bis(oxidanyl)heptan-2-yl]benzamide Openeye Name: 4-bromo-N-[(1S,2S,4S)-1-(cyclohexylmethyl)-2,4-dihydroxy-5-methyl-hexyl]benzamide CAS Name: 4-bromo-N-[(2S,3S,5S)-1-cyclohexyl-3,5-dihydroxy-6-methylheptan-2-yl]benzamide IUPAC Name: 4-bromo-N-[(2S,3S,5S)-1-cyclohexyl-3,5-dihydroxy-6-methylheptan-2-yl]benzamide Traditional Name: 4-bromo-N-[(1S,2S,4S)-1-(cyclohexylmethyl)-2,4-dihydroxy-5-methyl-hexyl]benzamide Formula: C21H32BrNO3 MolecularWeight: 426.38768

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CC(C(CC1CCCCC1)NC(=O)C2=CC=C(C=C2)Br)O)O

Isomeric SMILES

CC(C)[C@H](C[C@@H]([C@H](CC1CCCCC1)NC(=O)C2=CC=C(C=C2)Br)O)O

InChI

InChI=1S/C21H32BrNO3/c1-14(2)19(24)13-20(25)18(12-15-6-4-3-5-7-15)23-21(26)16-8-10-17(22)11-9-16/h8-11,14-15,18-20,24-25H,3-7,12-13H2,1-2H3,(H,23,26)/t18-,19-,20-/m0/s1