N-[5-tert-butyl-6-(oxidanyldisulfanyl)-1,3-benzothiazol-2-yl]-4-cyano-benzenesulfonamide

Systemtic Name: N-[5-tert-butyl-6-(oxidanyldisulfanyl)-1,3-benzothiazol-2-yl]-4-cyano-benzenesulfonamide Openeye Name: N-[5-tert-butyl-6-(hydroxydisulfanyl)-1,3-benzothiazol-2-yl]-4-cyano-benzenesulfonamide CAS Name: 5-tert-butyl-2-[(4-cyanophenyl)sulfonylamino]-6-(hydroxydisulfanyl)-1,3-benzothiazole IUPAC Name: N-[5-tert-butyl-6-(hydroxydisulfanyl)-1,3-benzothiazol-2-yl]-4-cyanobenzenesulfonamide Traditional Name: N-[5-tert-butyl-6-(hydroxydisulfanyl)-1,3-benzothiazol-2-yl]-4-cyano-benzenesulfonamide Formula: C18H17N3O3S4 MolecularWeight: 451.60588

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC2=C(C=C1SSO)SC(=N2)NS(=O)(=O)C3=CC=C(C=C3)C#N

Isomeric SMILES

CC(C)(C)C1=CC2=C(C=C1SSO)SC(=N2)NS(=O)(=O)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C18H17N3O3S4/c1-18(2,3)13-8-14-16(9-15(13)26-27-22)25-17(20-14)21-28(23,24)12-6-4-11(10-19)5-7-12/h4-9,22H,1-3H3,(H,20,21)