3-[2-tert-butyl-1-(oxan-4-ylmethyl)benzimidazol-5-yl]sulfonylpropanenitrile

Systemtic Name: 3-[2-tert-butyl-1-(oxan-4-ylmethyl)benzimidazol-5-yl]sulfonylpropanenitrile Openeye Name: 3-[2-tert-butyl-1-(tetrahydropyran-4-ylmethyl)benzimidazol-5-yl]sulfonylpropanenitrile CAS Name: 3-[[2-tert-butyl-1-(4-oxanylmethyl)-5-benzimidazolyl]sulfonyl]propanenitrile IUPAC Name: 3-[2-tert-butyl-1-(oxan-4-ylmethyl)benzimidazol-5-yl]sulfonylpropanenitrile Traditional Name: 3-[2-tert-butyl-1-(tetrahydropyran-4-ylmethyl)benzimidazol-5-yl]sulfonylpropionitrile Formula: C20H27N3O3S MolecularWeight: 389.51168

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NC2=C(N1CC3CCOCC3)C=CC(=C2)S(=O)(=O)CCC#N

Isomeric SMILES

CC(C)(C)C1=NC2=C(N1CC3CCOCC3)C=CC(=C2)S(=O)(=O)CCC#N

InChI

InChI=1S/C20H27N3O3S/c1-20(2,3)19-22-17-13-16(27(24,25)12-4-9-21)5-6-18(17)23(19)14-15-7-10-26-11-8-15/h5-6,13,15H,4,7-8,10-12,14H2,1-3H3