1-(1-isocyanoethyl)-4-(phenylmethyl)sulfonyl-benzene

Systemtic Name: 1-(1-isocyanoethyl)-4-(phenylmethyl)sulfonyl-benzene Openeye Name: 1-benzylsulfonyl-4-(1-isocyanoethyl)benzene CAS Name: 1-(1-isocyanoethyl)-4-(phenylmethyl)sulfonylbenzene IUPAC Name: 1-benzylsulfonyl-4-(1-isocyanoethyl)benzene Traditional Name: 1-benzylsulfonyl-4-(1-isocyanoethyl)benzene Formula: C16H15NO2S MolecularWeight: 285.3608

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)S(=O)(=O)CC2=CC=CC=C2)[N+]#[C-]

Isomeric SMILES

CC(C1=CC=C(C=C1)S(=O)(=O)CC2=CC=CC=C2)[N+]#[C-]

InChI

InChI=1S/C16H15NO2S/c1-13(17-2)15-8-10-16(11-9-15)20(18,19)12-14-6-4-3-5-7-14/h3-11,13H,12H2,1H3