N-(1,3-benzodioxol-5-ylmethyl)-N-[2-[1-(2-imidazol-1-ylpyrimidin-4-yl)piperidin-2-yl]ethyl]methanesulfonamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-N-[2-[1-(2-imidazol-1-ylpyrimidin-4-yl)piperidin-2-yl]ethyl]methanesulfonamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-N-[2-[1-(2-imidazol-1-ylpyrimidin-4-yl)-2-piperidyl]ethyl]methanesulfonamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-N-[2-[1-[2-(1-imidazolyl)-4-pyrimidinyl]-2-piperidinyl]ethyl]methanesulfonamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-N-[2-[1-(2-imidazol-1-ylpyrimidin-4-yl)piperidin-2-yl]ethyl]methanesulfonamide Traditional Name: N-[2-[1-(2-imidazol-1-ylpyrimidin-4-yl)-2-piperidyl]ethyl]-N-piperonyl-methanesulfonamide Formula: C23H28N6O4S MolecularWeight: 484.57122

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N(CCC1CCCCN1C2=NC(=NC=C2)N3C=CN=C3)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CS(=O)(=O)N(CCC1CCCCN1C2=NC(=NC=C2)N3C=CN=C3)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C23H28N6O4S/c1-34(30,31)28(15-18-5-6-20-21(14-18)33-17-32-20)12-8-19-4-2-3-11-29(19)22-7-9-25-23(26-22)27-13-10-24-16-27/h5-7,9-10,13-14,16,19H,2-4,8,11-12,15,17H2,1H3