N-(2-isocyano-3,4-dihydro-1H-isoquinolin-5-yl)methanesulfonamide

Systemtic Name: N-(2-isocyano-3,4-dihydro-1H-isoquinolin-5-yl)methanesulfonamide Openeye Name: N-(2-isocyano-3,4-dihydro-1H-isoquinolin-5-yl)methanesulfonamide CAS Name: N-(2-isocyano-3,4-dihydro-1H-isoquinolin-5-yl)methanesulfonamide IUPAC Name: N-(2-isocyano-3,4-dihydro-1H-isoquinolin-5-yl)methanesulfonamide Traditional Name: N-(2-isocyano-3,4-dihydro-1H-isoquinolin-5-yl)methanesulfonamide Formula: C11H13N3O2S MolecularWeight: 251.30482

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)NC1=CC=CC2=C1CCN(C2)[N+]#[C-]

Isomeric SMILES

CS(=O)(=O)NC1=CC=CC2=C1CCN(C2)[N+]#[C-]

InChI

InChI=1S/C11H13N3O2S/c1-12-14-7-6-10-9(8-14)4-3-5-11(10)13-17(2,15)16/h3-5,13H,6-8H2,2H3