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

Systemtic Name: N-[4-(1,3-benzodioxol-5-ylmethylamino)-2-imidazol-1-yl-pyrimidin-5-yl]-4-chloranyl-benzenesulfonamide Openeye Name: N-[4-(1,3-benzodioxol-5-ylmethylamino)-2-imidazol-1-yl-pyrimidin-5-yl]-4-chloro-benzenesulfonamide CAS Name: N-[4-(1,3-benzodioxol-5-ylmethylamino)-2-(1-imidazolyl)-5-pyrimidinyl]-4-chlorobenzenesulfonamide IUPAC Name: N-[4-(1,3-benzodioxol-5-ylmethylamino)-2-imidazol-1-ylpyrimidin-5-yl]-4-chlorobenzenesulfonamide Traditional Name: 4-chloro-N-[2-imidazol-1-yl-4-(piperonylamino)pyrimidin-5-yl]benzenesulfonamide Formula: C21H17ClN6O4S MolecularWeight: 484.91548

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC3=NC(=NC=C3NS(=O)(=O)C4=CC=C(C=C4)Cl)N5C=CN=C5

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC3=NC(=NC=C3NS(=O)(=O)C4=CC=C(C=C4)Cl)N5C=CN=C5

InChI

InChI=1S/C21H17ClN6O4S/c22-15-2-4-16(5-3-15)33(29,30)27-17-11-25-21(28-8-7-23-12-28)26-20(17)24-10-14-1-6-18-19(9-14)32-13-31-18/h1-9,11-12,27H,10,13H2,(H,24,25,26)