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

Systemtic Name: 2-(1-isocyanoethyl)-4-methyl-1-(phenylmethyl)sulfonyl-benzene Openeye Name: 1-benzylsulfonyl-2-(1-isocyanoethyl)-4-methyl-benzene CAS Name: 2-(1-isocyanoethyl)-4-methyl-1-(phenylmethyl)sulfonylbenzene IUPAC Name: 1-benzylsulfonyl-2-(1-isocyanoethyl)-4-methylbenzene Traditional Name: 1-benzylsulfonyl-2-(1-isocyanoethyl)-4-methyl-benzene Formula: C17H17NO2S MolecularWeight: 299.38738

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)S(=O)(=O)CC2=CC=CC=C2)C(C)[N+]#[C-]

Isomeric SMILES

CC1=CC(=C(C=C1)S(=O)(=O)CC2=CC=CC=C2)C(C)[N+]#[C-]

InChI

InChI=1S/C17H17NO2S/c1-13-9-10-17(16(11-13)14(2)18-3)21(19,20)12-15-7-5-4-6-8-15/h4-11,14H,12H2,1-2H3