4-chloranyl-2-(1-isocyanoethyl)-1-(phenylmethyl)sulfonyl-benzene

Systemtic Name: 4-chloranyl-2-(1-isocyanoethyl)-1-(phenylmethyl)sulfonyl-benzene Openeye Name: 1-benzylsulfonyl-4-chloro-2-(1-isocyanoethyl)benzene CAS Name: 4-chloro-2-(1-isocyanoethyl)-1-(phenylmethyl)sulfonylbenzene IUPAC Name: 1-benzylsulfonyl-4-chloro-2-(1-isocyanoethyl)benzene Traditional Name: 1-benzylsulfonyl-4-chloro-2-(1-isocyanoethyl)benzene Formula: C16H14ClNO2S MolecularWeight: 319.80586

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H14ClNO2S/c1-12(18-2)15-10-14(17)8-9-16(15)21(19,20)11-13-6-4-3-5-7-13/h3-10,12H,11H2,1H3