(1S,2S)-2-methyl-1-[1-(phenylsulfonyl)cyclohexyl]propane-1,3-diol

Systemtic Name: (1S,2S)-2-methyl-1-[1-(phenylsulfonyl)cyclohexyl]propane-1,3-diol Openeye Name: (1S,2S)-1-[1-(benzenesulfonyl)cyclohexyl]-2-methyl-propane-1,3-diol CAS Name: (1S,2S)-1-[1-(benzenesulfonyl)cyclohexyl]-2-methylpropane-1,3-diol IUPAC Name: (1S,2S)-1-[1-(benzenesulfonyl)cyclohexyl]-2-methylpropane-1,3-diol Traditional Name: (1S,2S)-1-(1-besylcyclohexyl)-2-methyl-propane-1,3-diol Formula: C16H24O4S MolecularWeight: 312.42436

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CO)C(C1(CCCCC1)S(=O)(=O)C2=CC=CC=C2)O

Isomeric SMILES

C[C@@H](CO)[C@@H](C1(CCCCC1)S(=O)(=O)C2=CC=CC=C2)O

InChI

InChI=1S/C16H24O4S/c1-13(12-17)15(18)16(10-6-3-7-11-16)21(19,20)14-8-4-2-5-9-14/h2,4-5,8-9,13,15,17-18H,3,6-7,10-12H2,1H3/t13-,15-/m0/s1