1-(3,3-dideuterio-1-isocyano-cyclobutyl)sulfonyl-4-methyl-benzene

Systemtic Name: 1-(3,3-dideuterio-1-isocyano-cyclobutyl)sulfonyl-4-methyl-benzene Openeye Name: 1-(3,3-dideuterio-1-isocyano-cyclobutyl)sulfonyl-4-methyl-benzene CAS Name: 1-(3,3-dideuterio-1-isocyanocyclobutyl)sulfonyl-4-methylbenzene IUPAC Name: 1-(3,3-dideuterio-1-isocyanocyclobutyl)sulfonyl-4-methylbenzene Traditional Name: 1-(3,3-dideuterio-1-isocyano-cyclobutyl)sulfonyl-4-methyl-benzene Formula: C12H13NO2S MolecularWeight: 237.314444

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C2(CCC2)[N+]#[C-]

Isomeric SMILES

[2H]C1(CC(C1)([N+]#[C-])S(=O)(=O)C2=CC=C(C=C2)C)[2H]

InChI

InChI=1S/C12H13NO2S/c1-10-4-6-11(7-5-10)16(14,15)12(13-2)8-3-9-12/h4-7H,3,8-9H2,1H3/i3D2