2-[(4-tert-butyl-2,6-dimethyl-phenyl)methylsulfonylmethyl]-1,3-benzothiazole

Systemtic Name: 2-[(4-tert-butyl-2,6-dimethyl-phenyl)methylsulfonylmethyl]-1,3-benzothiazole Openeye Name: 2-[(4-tert-butyl-2,6-dimethyl-phenyl)methylsulfonylmethyl]-1,3-benzothiazole CAS Name: 2-[(4-tert-butyl-2,6-dimethylphenyl)methylsulfonylmethyl]-1,3-benzothiazole IUPAC Name: 2-[(4-tert-butyl-2,6-dimethylphenyl)methylsulfonylmethyl]-1,3-benzothiazole Traditional Name: 2-[(4-tert-butyl-2,6-dimethyl-benzyl)sulfonylmethyl]-1,3-benzothiazole Formula: C21H25NO2S2 MolecularWeight: 387.5587

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1CS(=O)(=O)CC2=NC3=CC=CC=C3S2)C)C(C)(C)C

Isomeric SMILES

CC1=CC(=CC(=C1CS(=O)(=O)CC2=NC3=CC=CC=C3S2)C)C(C)(C)C

InChI

InChI=1S/C21H25NO2S2/c1-14-10-16(21(3,4)5)11-15(2)17(14)12-26(23,24)13-20-22-18-8-6-7-9-19(18)25-20/h6-11H,12-13H2,1-5H3