N-[4-(1,3-benzodioxol-5-ylmethylamino)-2-imidazol-1-yl-pyrimidin-5-yl]hexane-1-sulfonamide

Systemtic Name: N-[4-(1,3-benzodioxol-5-ylmethylamino)-2-imidazol-1-yl-pyrimidin-5-yl]hexane-1-sulfonamide Openeye Name: N-[4-(1,3-benzodioxol-5-ylmethylamino)-2-imidazol-1-yl-pyrimidin-5-yl]hexane-1-sulfonamide CAS Name: N-[4-(1,3-benzodioxol-5-ylmethylamino)-2-(1-imidazolyl)-5-pyrimidinyl]-1-hexanesulfonamide IUPAC Name: N-[4-(1,3-benzodioxol-5-ylmethylamino)-2-imidazol-1-ylpyrimidin-5-yl]hexane-1-sulfonamide Traditional Name: N-[2-imidazol-1-yl-4-(piperonylamino)pyrimidin-5-yl]hexane-1-sulfonamide Formula: C21H26N6O4S MolecularWeight: 458.53394

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCS(=O)(=O)NC1=CN=C(N=C1NCC2=CC3=C(C=C2)OCO3)N4C=CN=C4

Isomeric SMILES

CCCCCCS(=O)(=O)NC1=CN=C(N=C1NCC2=CC3=C(C=C2)OCO3)N4C=CN=C4

InChI

InChI=1S/C21H26N6O4S/c1-2-3-4-5-10-32(28,29)26-17-13-24-21(27-9-8-22-14-27)25-20(17)23-12-16-6-7-18-19(11-16)31-15-30-18/h6-9,11,13-14,26H,2-5,10,12,15H2,1H3,(H,23,24,25)