2-tert-butyl-5-(3-ethoxypyridin-4-yl)sulfonyl-1-(oxan-4-ylmethyl)benzimidazole

Systemtic Name: 2-tert-butyl-5-(3-ethoxypyridin-4-yl)sulfonyl-1-(oxan-4-ylmethyl)benzimidazole Openeye Name: 2-tert-butyl-5-[(3-ethoxy-4-pyridyl)sulfonyl]-1-(tetrahydropyran-4-ylmethyl)benzimidazole CAS Name: 2-tert-butyl-5-[(3-ethoxy-4-pyridinyl)sulfonyl]-1-(4-oxanylmethyl)benzimidazole IUPAC Name: 2-tert-butyl-5-(3-ethoxypyridin-4-yl)sulfonyl-1-(oxan-4-ylmethyl)benzimidazole Traditional Name: 2-tert-butyl-5-[(3-ethoxy-4-pyridyl)sulfonyl]-1-(tetrahydropyran-4-ylmethyl)benzimidazole Formula: C24H31N3O4S MolecularWeight: 457.58564

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CN=C1)S(=O)(=O)C2=CC3=C(C=C2)N(C(=N3)C(C)(C)C)CC4CCOCC4

Isomeric SMILES

CCOC1=C(C=CN=C1)S(=O)(=O)C2=CC3=C(C=C2)N(C(=N3)C(C)(C)C)CC4CCOCC4

InChI

InChI=1S/C24H31N3O4S/c1-5-31-21-15-25-11-8-22(21)32(28,29)18-6-7-20-19(14-18)26-23(24(2,3)4)27(20)16-17-9-12-30-13-10-17/h6-8,11,14-15,17H,5,9-10,12-13,16H2,1-4H3