2-(2,2-dimethylpropyl)-5-ethylsulfonyl-1-(oxan-4-ylmethyl)benzimidazole

Systemtic Name: 2-(2,2-dimethylpropyl)-5-ethylsulfonyl-1-(oxan-4-ylmethyl)benzimidazole Openeye Name: 2-(2,2-dimethylpropyl)-5-ethylsulfonyl-1-(tetrahydropyran-4-ylmethyl)benzimidazole CAS Name: 2-(2,2-dimethylpropyl)-5-ethylsulfonyl-1-(4-oxanylmethyl)benzimidazole IUPAC Name: 2-(2,2-dimethylpropyl)-5-ethylsulfonyl-1-(oxan-4-ylmethyl)benzimidazole Traditional Name: 5-esyl-2-neopentyl-1-(tetrahydropyran-4-ylmethyl)benzimidazole Formula: C20H30N2O3S MolecularWeight: 378.5288

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=CC2=C(C=C1)N(C(=N2)CC(C)(C)C)CC3CCOCC3

Isomeric SMILES

CCS(=O)(=O)C1=CC2=C(C=C1)N(C(=N2)CC(C)(C)C)CC3CCOCC3

InChI

InChI=1S/C20H30N2O3S/c1-5-26(23,24)16-6-7-18-17(12-16)21-19(13-20(2,3)4)22(18)14-15-8-10-25-11-9-15/h6-7,12,15H,5,8-11,13-14H2,1-4H3