N-[2-tert-butyl-1-(oxan-4-ylmethyl)benzimidazol-5-yl]-N-ethyl-benzenesulfonamide

Systemtic Name: N-[2-tert-butyl-1-(oxan-4-ylmethyl)benzimidazol-5-yl]-N-ethyl-benzenesulfonamide Openeye Name: N-[2-tert-butyl-1-(tetrahydropyran-4-ylmethyl)benzimidazol-5-yl]-N-ethyl-benzenesulfonamide CAS Name: N-[2-tert-butyl-1-(4-oxanylmethyl)-5-benzimidazolyl]-N-ethylbenzenesulfonamide IUPAC Name: N-[2-tert-butyl-1-(oxan-4-ylmethyl)benzimidazol-5-yl]-N-ethylbenzenesulfonamide Traditional Name: N-[2-tert-butyl-1-(tetrahydropyran-4-ylmethyl)benzimidazol-5-yl]-N-ethyl-benzenesulfonamide Formula: C25H33N3O3S MolecularWeight: 455.61282

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=CC2=C(C=C1)N(C(=N2)C(C)(C)C)CC3CCOCC3)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

CCN(C1=CC2=C(C=C1)N(C(=N2)C(C)(C)C)CC3CCOCC3)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C25H33N3O3S/c1-5-28(32(29,30)21-9-7-6-8-10-21)20-11-12-23-22(17-20)26-24(25(2,3)4)27(23)18-19-13-15-31-16-14-19/h6-12,17,19H,5,13-16,18H2,1-4H3