N-[[2,4-bis(2-methylbutan-2-yl)phenoxy]methyl]-2-methyl-1,3-benzothiazole-6-sulfonamide

Systemtic Name: N-[[2,4-bis(2-methylbutan-2-yl)phenoxy]methyl]-2-methyl-1,3-benzothiazole-6-sulfonamide Openeye Name: N-[[2,4-bis(1,1-dimethylpropyl)phenoxy]methyl]-2-methyl-1,3-benzothiazole-6-sulfonamide CAS Name: N-[[2,4-bis(2-methylbutan-2-yl)phenoxy]methyl]-2-methyl-1,3-benzothiazole-6-sulfonamide IUPAC Name: N-[[2,4-bis(2-methylbutan-2-yl)phenoxy]methyl]-2-methyl-1,3-benzothiazole-6-sulfonamide Traditional Name: N-[(2,4-ditert-amylphenoxy)methyl]-2-methyl-1,3-benzothiazole-6-sulfonamide Formula: C25H34N2O3S2 MolecularWeight: 474.67906

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C1=CC(=C(C=C1)OCNS(=O)(=O)C2=CC3=C(C=C2)N=C(S3)C)C(C)(C)CC

Isomeric SMILES

CCC(C)(C)C1=CC(=C(C=C1)OCNS(=O)(=O)C2=CC3=C(C=C2)N=C(S3)C)C(C)(C)CC

InChI

InChI=1S/C25H34N2O3S2/c1-8-24(4,5)18-10-13-22(20(14-18)25(6,7)9-2)30-16-26-32(28,29)19-11-12-21-23(15-19)31-17(3)27-21/h10-15,26H,8-9,16H2,1-7H3