6-isothiocyanato-3-(4-methylphenyl)sulfonyl-3-azabicyclo[3.1.0]hexane

Systemtic Name: 6-isothiocyanato-3-(4-methylphenyl)sulfonyl-3-azabicyclo[3.1.0]hexane Openeye Name: 6-isothiocyanato-3-(p-tolylsulfonyl)-3-azabicyclo[3.1.0]hexane CAS Name: 6-isothiocyanato-3-(4-methylphenyl)sulfonyl-3-azabicyclo[3.1.0]hexane IUPAC Name: 6-isothiocyanato-3-(4-methylphenyl)sulfonyl-3-azabicyclo[3.1.0]hexane Traditional Name: 6-isothiocyanato-3-tosyl-3-azabicyclo[3.1.0]hexane Formula: C13H14N2O2S2 MolecularWeight: 294.39246

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CC3C(C2)C3N=C=S

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CC3C(C2)C3N=C=S

InChI

InChI=1S/C13H14N2O2S2/c1-9-2-4-10(5-3-9)19(16,17)15-6-11-12(7-15)13(11)14-8-18/h2-5,11-13H,6-7H2,1H3