1-[2-tert-butyl-1-(oxan-4-ylmethyl)benzimidazol-5-yl]sulfonylpyrazole-4-carbaldehyde

Systemtic Name: 1-[2-tert-butyl-1-(oxan-4-ylmethyl)benzimidazol-5-yl]sulfonylpyrazole-4-carbaldehyde Openeye Name: 1-[2-tert-butyl-1-(tetrahydropyran-4-ylmethyl)benzimidazol-5-yl]sulfonylpyrazole-4-carbaldehyde CAS Name: 1-[[2-tert-butyl-1-(4-oxanylmethyl)-5-benzimidazolyl]sulfonyl]-4-pyrazolecarboxaldehyde IUPAC Name: 1-[2-tert-butyl-1-(oxan-4-ylmethyl)benzimidazol-5-yl]sulfonylpyrazole-4-carbaldehyde Traditional Name: 1-[2-tert-butyl-1-(tetrahydropyran-4-ylmethyl)benzimidazol-5-yl]sulfonylpyrazole-4-carbaldehyde Formula: C21H26N4O4S MolecularWeight: 430.52054

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N4O4S/c1-21(2,3)20-23-18-10-17(30(27,28)25-13-16(14-26)11-22-25)4-5-19(18)24(20)12-15-6-8-29-9-7-15/h4-5,10-11,13-15H,6-9,12H2,1-3H3