3-[2-tert-butyl-1-(oxan-4-ylmethyl)benzimidazol-5-yl]sulfonyl-N-ethyl-propan-1-amine

Systemtic Name: 3-[2-tert-butyl-1-(oxan-4-ylmethyl)benzimidazol-5-yl]sulfonyl-N-ethyl-propan-1-amine Openeye Name: 3-[2-tert-butyl-1-(tetrahydropyran-4-ylmethyl)benzimidazol-5-yl]sulfonyl-N-ethyl-propan-1-amine CAS Name: 3-[[2-tert-butyl-1-(4-oxanylmethyl)-5-benzimidazolyl]sulfonyl]-N-ethyl-1-propanamine IUPAC Name: 3-[2-tert-butyl-1-(oxan-4-ylmethyl)benzimidazol-5-yl]sulfonyl-N-ethylpropan-1-amine Traditional Name: 3-[2-tert-butyl-1-(tetrahydropyran-4-ylmethyl)benzimidazol-5-yl]sulfonylpropyl-ethyl-amine Formula: C22H35N3O3S MolecularWeight: 421.5966

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Descriptors Computed from Structure

Canonical SMILES:

CCNCCCS(=O)(=O)C1=CC2=C(C=C1)N(C(=N2)C(C)(C)C)CC3CCOCC3

Isomeric SMILES

CCNCCCS(=O)(=O)C1=CC2=C(C=C1)N(C(=N2)C(C)(C)C)CC3CCOCC3

InChI

InChI=1S/C22H35N3O3S/c1-5-23-11-6-14-29(26,27)18-7-8-20-19(15-18)24-21(22(2,3)4)25(20)16-17-9-12-28-13-10-17/h7-8,15,17,23H,5-6,9-14,16H2,1-4H3