N-[2-tert-butyl-1-(oxan-4-ylmethyl)benzimidazol-5-yl]-N-methyl-propane-1-sulfonamide

Systemtic Name: N-[2-tert-butyl-1-(oxan-4-ylmethyl)benzimidazol-5-yl]-N-methyl-propane-1-sulfonamide Openeye Name: N-[2-tert-butyl-1-(tetrahydropyran-4-ylmethyl)benzimidazol-5-yl]-N-methyl-propane-1-sulfonamide CAS Name: N-[2-tert-butyl-1-(4-oxanylmethyl)-5-benzimidazolyl]-N-methyl-1-propanesulfonamide IUPAC Name: N-[2-tert-butyl-1-(oxan-4-ylmethyl)benzimidazol-5-yl]-N-methylpropane-1-sulfonamide Traditional Name: N-[2-tert-butyl-1-(tetrahydropyran-4-ylmethyl)benzimidazol-5-yl]-N-methyl-propane-1-sulfonamide Formula: C21H33N3O3S MolecularWeight: 407.57002

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H33N3O3S/c1-6-13-28(25,26)23(5)17-7-8-19-18(14-17)22-20(21(2,3)4)24(19)15-16-9-11-27-12-10-16/h7-8,14,16H,6,9-13,15H2,1-5H3