2-tert-butyl-1-(oxan-4-ylmethyl)-5-piperidin-1-ylsulfonyl-benzimidazole

Systemtic Name: 2-tert-butyl-1-(oxan-4-ylmethyl)-5-piperidin-1-ylsulfonyl-benzimidazole Openeye Name: 2-tert-butyl-5-(1-piperidylsulfonyl)-1-(tetrahydropyran-4-ylmethyl)benzimidazole CAS Name: 2-tert-butyl-1-(4-oxanylmethyl)-5-(1-piperidinylsulfonyl)benzimidazole IUPAC Name: 2-tert-butyl-1-(oxan-4-ylmethyl)-5-piperidin-1-ylsulfonylbenzimidazole Traditional Name: 2-tert-butyl-5-piperidinosulfonyl-1-(tetrahydropyran-4-ylmethyl)benzimidazole Formula: C22H33N3O3S MolecularWeight: 419.58072

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NC2=C(N1CC3CCOCC3)C=CC(=C2)S(=O)(=O)N4CCCCC4

Isomeric SMILES

CC(C)(C)C1=NC2=C(N1CC3CCOCC3)C=CC(=C2)S(=O)(=O)N4CCCCC4

InChI

InChI=1S/C22H33N3O3S/c1-22(2,3)21-23-19-15-18(29(26,27)24-11-5-4-6-12-24)7-8-20(19)25(21)16-17-9-13-28-14-10-17/h7-8,15,17H,4-6,9-14,16H2,1-3H3