(1S)-2-azanyl-1-(4-methylsulfonylphenyl)propane-1,3-diol

Systemtic Name: (1S)-2-azanyl-1-(4-methylsulfonylphenyl)propane-1,3-diol Openeye Name: (1S)-2-amino-1-(4-methylsulfonylphenyl)propane-1,3-diol CAS Name: (1S)-2-amino-1-(4-methylsulfonylphenyl)propane-1,3-diol IUPAC Name: (1S)-2-amino-1-(4-methylsulfonylphenyl)propane-1,3-diol Traditional Name: (1S)-2-amino-1-(4-mesylphenyl)propane-1,3-diol Formula: C10H15NO4S MolecularWeight: 245.2954

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)C(C(CO)N)O

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)[C@@H](C(CO)N)O

InChI

InChI=1S/C10H15NO4S/c1-16(14,15)8-4-2-7(3-5-8)10(13)9(11)6-12/h2-5,9-10,12-13H,6,11H2,1H3/t9?,10-/m0/s1