N-[3-(1,3-benzothiazol-2-ylsulfanyl)-4-oxidanyl-phenyl]-5-tert-butyl-2,3-dimethyl-benzenesulfonamide

Systemtic Name: N-[3-(1,3-benzothiazol-2-ylsulfanyl)-4-oxidanyl-phenyl]-5-tert-butyl-2,3-dimethyl-benzenesulfonamide Openeye Name: N-[3-(1,3-benzothiazol-2-ylsulfanyl)-4-hydroxy-phenyl]-5-tert-butyl-2,3-dimethyl-benzenesulfonamide CAS Name: N-[3-(1,3-benzothiazol-2-ylthio)-4-hydroxyphenyl]-5-tert-butyl-2,3-dimethylbenzenesulfonamide IUPAC Name: N-[3-(1,3-benzothiazol-2-ylsulfanyl)-4-hydroxyphenyl]-5-tert-butyl-2,3-dimethylbenzenesulfonamide Traditional Name: N-[3-(1,3-benzothiazol-2-ylthio)-4-hydroxy-phenyl]-5-tert-butyl-2,3-dimethyl-benzenesulfonamide Formula: C25H26N2O3S3 MolecularWeight: 498.68054

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC(=C1)C(C)(C)C)S(=O)(=O)NC2=CC(=C(C=C2)O)SC3=NC4=CC=CC=C4S3)C

Isomeric SMILES

CC1=C(C(=CC(=C1)C(C)(C)C)S(=O)(=O)NC2=CC(=C(C=C2)O)SC3=NC4=CC=CC=C4S3)C

InChI

InChI=1S/C25H26N2O3S3/c1-15-12-17(25(3,4)5)13-23(16(15)2)33(29,30)27-18-10-11-20(28)22(14-18)32-24-26-19-8-6-7-9-21(19)31-24/h6-14,27-28H,1-5H3