N-[4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butyl]-2,1,3-benzothiadiazole-4-sulfonamide

Systemtic Name: N-[4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butyl]-2,1,3-benzothiadiazole-4-sulfonamide Openeye Name: N-[4-[2,4-bis(1,1-dimethylpropyl)phenoxy]butyl]-2,1,3-benzothiadiazole-4-sulfonamide CAS Name: N-[4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butyl]-2,1,3-benzothiadiazole-4-sulfonamide IUPAC Name: N-[4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butyl]-2,1,3-benzothiadiazole-4-sulfonamide Traditional Name: N-[4-(2,4-ditert-amylphenoxy)butyl]piazthiole-4-sulfonamide Formula: C26H37N3O3S2 MolecularWeight: 503.72028

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C1=CC(=C(C=C1)OCCCCNS(=O)(=O)C2=CC=CC3=NSN=C32)C(C)(C)CC

Isomeric SMILES

CCC(C)(C)C1=CC(=C(C=C1)OCCCCNS(=O)(=O)C2=CC=CC3=NSN=C32)C(C)(C)CC

InChI

InChI=1S/C26H37N3O3S2/c1-7-25(3,4)19-14-15-22(20(18-19)26(5,6)8-2)32-17-10-9-16-27-34(30,31)23-13-11-12-21-24(23)29-33-28-21/h11-15,18,27H,7-10,16-17H2,1-6H3