N-[3-[2-tert-butyl-1-(oxan-4-ylmethyl)benzimidazol-5-yl]sulfonylpropyl]ethanamide

Systemtic Name: N-[3-[2-tert-butyl-1-(oxan-4-ylmethyl)benzimidazol-5-yl]sulfonylpropyl]ethanamide Openeye Name: N-[3-[2-tert-butyl-1-(tetrahydropyran-4-ylmethyl)benzimidazol-5-yl]sulfonylpropyl]acetamide CAS Name: N-[3-[[2-tert-butyl-1-(4-oxanylmethyl)-5-benzimidazolyl]sulfonyl]propyl]acetamide IUPAC Name: N-[3-[2-tert-butyl-1-(oxan-4-ylmethyl)benzimidazol-5-yl]sulfonylpropyl]acetamide Traditional Name: N-[3-[2-tert-butyl-1-(tetrahydropyran-4-ylmethyl)benzimidazol-5-yl]sulfonylpropyl]acetamide Formula: C22H33N3O4S MolecularWeight: 435.58012

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H33N3O4S/c1-16(26)23-10-5-13-30(27,28)18-6-7-20-19(14-18)24-21(22(2,3)4)25(20)15-17-8-11-29-12-9-17/h6-7,14,17H,5,8-13,15H2,1-4H3,(H,23,26)