2-isocyano-1-[4-(phenylsulfonyl)phenyl]ethanol

Systemtic Name: 2-isocyano-1-[4-(phenylsulfonyl)phenyl]ethanol Openeye Name: 1-[4-(benzenesulfonyl)phenyl]-2-isocyano-ethanol CAS Name: 1-[4-(benzenesulfonyl)phenyl]-2-isocyanoethanol IUPAC Name: 1-[4-(benzenesulfonyl)phenyl]-2-isocyanoethanol Traditional Name: 1-(4-besylphenyl)-2-isocyano-ethanol Formula: C15H13NO3S MolecularWeight: 287.33362

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

[C-]#[N+]CC(C1=CC=C(C=C1)S(=O)(=O)C2=CC=CC=C2)O

Isomeric SMILES

[C-]#[N+]CC(C1=CC=C(C=C1)S(=O)(=O)C2=CC=CC=C2)O

InChI

InChI=1S/C15H13NO3S/c1-16-11-15(17)12-7-9-14(10-8-12)20(18,19)13-5-3-2-4-6-13/h2-10,15,17H,11H2