7-isothiocyanato-4-(phenylsulfonyl)-4-azabicyclo[4.1.0]heptane

Systemtic Name: 7-isothiocyanato-4-(phenylsulfonyl)-4-azabicyclo[4.1.0]heptane Openeye Name: 4-(benzenesulfonyl)-7-isothiocyanato-4-azabicyclo[4.1.0]heptane CAS Name: 4-(benzenesulfonyl)-7-isothiocyanato-4-azabicyclo[4.1.0]heptane IUPAC Name: 4-(benzenesulfonyl)-7-isothiocyanato-4-azabicyclo[4.1.0]heptane Traditional Name: 4-besyl-7-isothiocyanato-4-azabicyclo[4.1.0]heptane Formula: C13H14N2O2S2 MolecularWeight: 294.39246

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2C1C2N=C=S)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

C1CN(CC2C1C2N=C=S)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C13H14N2O2S2/c16-19(17,10-4-2-1-3-5-10)15-7-6-11-12(8-15)13(11)14-9-18/h1-5,11-13H,6-8H2