N-(5,6-ditert-butyl-1,3-benzothiazol-2-yl)-4-isocyano-benzenesulfonamide

Systemtic Name: N-(5,6-ditert-butyl-1,3-benzothiazol-2-yl)-4-isocyano-benzenesulfonamide Openeye Name: N-(5,6-ditert-butyl-1,3-benzothiazol-2-yl)-4-isocyano-benzenesulfonamide CAS Name: N-(5,6-ditert-butyl-1,3-benzothiazol-2-yl)-4-isocyanobenzenesulfonamide IUPAC Name: N-(5,6-ditert-butyl-1,3-benzothiazol-2-yl)-4-isocyanobenzenesulfonamide Traditional Name: N-(5,6-ditert-butyl-1,3-benzothiazol-2-yl)-4-isocyano-benzenesulfonamide Formula: C22H25N3O2S2 MolecularWeight: 427.5828

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC2=C(C=C1C(C)(C)C)SC(=N2)NS(=O)(=O)C3=CC=C(C=C3)[N+]#[C-]

Isomeric SMILES

CC(C)(C)C1=CC2=C(C=C1C(C)(C)C)SC(=N2)NS(=O)(=O)C3=CC=C(C=C3)[N+]#[C-]

InChI

InChI=1S/C22H25N3O2S2/c1-21(2,3)16-12-18-19(13-17(16)22(4,5)6)28-20(24-18)25-29(26,27)15-10-8-14(23-7)9-11-15/h8-13H,1-6H3,(H,24,25)