2-tert-butyl-1-(oxan-4-ylmethyl)-5-(propan-2-ylsulfonylmethyl)benzimidazole

Systemtic Name: 2-tert-butyl-1-(oxan-4-ylmethyl)-5-(propan-2-ylsulfonylmethyl)benzimidazole Openeye Name: 2-tert-butyl-5-(isopropylsulfonylmethyl)-1-(tetrahydropyran-4-ylmethyl)benzimidazole CAS Name: 2-tert-butyl-1-(4-oxanylmethyl)-5-(propan-2-ylsulfonylmethyl)benzimidazole IUPAC Name: 2-tert-butyl-1-(oxan-4-ylmethyl)-5-(propan-2-ylsulfonylmethyl)benzimidazole Traditional Name: 2-tert-butyl-5-(isopropylsulfonylmethyl)-1-(tetrahydropyran-4-ylmethyl)benzimidazole Formula: C21H32N2O3S MolecularWeight: 392.55538

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)S(=O)(=O)CC1=CC2=C(C=C1)N(C(=N2)C(C)(C)C)CC3CCOCC3

Isomeric SMILES

CC(C)S(=O)(=O)CC1=CC2=C(C=C1)N(C(=N2)C(C)(C)C)CC3CCOCC3

InChI

InChI=1S/C21H32N2O3S/c1-15(2)27(24,25)14-17-6-7-19-18(12-17)22-20(21(3,4)5)23(19)13-16-8-10-26-11-9-16/h6-7,12,15-16H,8-11,13-14H2,1-5H3