N,N-diethyl-4-(2-isocyano-1-oxidanyl-ethyl)benzenesulfonamide

Systemtic Name: N,N-diethyl-4-(2-isocyano-1-oxidanyl-ethyl)benzenesulfonamide Openeye Name: N,N-diethyl-4-(1-hydroxy-2-isocyano-ethyl)benzenesulfonamide CAS Name: N,N-diethyl-4-(1-hydroxy-2-isocyanoethyl)benzenesulfonamide IUPAC Name: N,N-diethyl-4-(1-hydroxy-2-isocyanoethyl)benzenesulfonamide Traditional Name: N,N-diethyl-4-(1-hydroxy-2-isocyano-ethyl)benzenesulfonamide Formula: C13H18N2O3S MolecularWeight: 282.35862

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC=C(C=C1)C(C[N+]#[C-])O

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC=C(C=C1)C(C[N+]#[C-])O

InChI

InChI=1S/C13H18N2O3S/c1-4-15(5-2)19(17,18)12-8-6-11(7-9-12)13(16)10-14-3/h6-9,13,16H,4-5,10H2,1-2H3