2-(2-methylbutan-2-yl)-1-(oxan-4-ylmethyl)-5-pyrazol-1-ylsulfonyl-benzimidazole

Systemtic Name: 2-(2-methylbutan-2-yl)-1-(oxan-4-ylmethyl)-5-pyrazol-1-ylsulfonyl-benzimidazole Openeye Name: 2-(1,1-dimethylpropyl)-5-pyrazol-1-ylsulfonyl-1-(tetrahydropyran-4-ylmethyl)benzimidazole CAS Name: 2-(2-methylbutan-2-yl)-1-(4-oxanylmethyl)-5-(1-pyrazolylsulfonyl)benzimidazole IUPAC Name: 2-(2-methylbutan-2-yl)-1-(oxan-4-ylmethyl)-5-pyrazol-1-ylsulfonylbenzimidazole Traditional Name: 2-tert-amyl-5-pyrazol-1-ylsulfonyl-1-(tetrahydropyran-4-ylmethyl)benzimidazole Formula: C21H28N4O3S MolecularWeight: 416.53702

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C1=NC2=C(N1CC3CCOCC3)C=CC(=C2)S(=O)(=O)N4C=CC=N4

Isomeric SMILES

CCC(C)(C)C1=NC2=C(N1CC3CCOCC3)C=CC(=C2)S(=O)(=O)N4C=CC=N4

InChI

InChI=1S/C21H28N4O3S/c1-4-21(2,3)20-23-18-14-17(29(26,27)25-11-5-10-22-25)6-7-19(18)24(20)15-16-8-12-28-13-9-16/h5-7,10-11,14,16H,4,8-9,12-13,15H2,1-3H3