(2S,3R,5S)-2-azanyl-1-(3-bromophenyl)-5-(4-fluorophenyl)sulfanyl-7-methyl-octan-3-ol

Systemtic Name: (2S,3R,5S)-2-azanyl-1-(3-bromophenyl)-5-(4-fluorophenyl)sulfanyl-7-methyl-octan-3-ol Openeye Name: (2S,3R,5S)-2-amino-1-(3-bromophenyl)-5-(4-fluorophenyl)sulfanyl-7-methyl-octan-3-ol CAS Name: (2S,3R,5S)-2-amino-1-(3-bromophenyl)-5-[(4-fluorophenyl)thio]-7-methyl-3-octanol IUPAC Name: (2S,3R,5S)-2-amino-1-(3-bromophenyl)-5-(4-fluorophenyl)sulfanyl-7-methyloctan-3-ol Traditional Name: (2S,3R,5S)-2-amino-1-(3-bromophenyl)-5-[(4-fluorophenyl)thio]-7-methyl-octan-3-ol Formula: C21H27BrFNOS MolecularWeight: 440.412583

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(CC(C(CC1=CC(=CC=C1)Br)N)O)SC2=CC=C(C=C2)F

Isomeric SMILES

CC(C)C[C@@H](C[C@H]([C@H](CC1=CC(=CC=C1)Br)N)O)SC2=CC=C(C=C2)F

InChI

InChI=1S/C21H27BrFNOS/c1-14(2)10-19(26-18-8-6-17(23)7-9-18)13-21(25)20(24)12-15-4-3-5-16(22)11-15/h3-9,11,14,19-21,25H,10,12-13,24H2,1-2H3/t19-,20-,21+/m0/s1