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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-N-[2-[1-(2-imidazol-1-ylpyrimidin-4-yl)piperazin-2-yl]ethyl]methanesulfonamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-N-[2-[1-(2-imidazol-1-ylpyrimidin-4-yl)piperazin-2-yl]ethyl]methanesulfonamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-N-[2-[1-[2-(1-imidazolyl)-4-pyrimidinyl]-2-piperazinyl]ethyl]methanesulfonamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-N-[2-[1-(2-imidazol-1-ylpyrimidin-4-yl)piperazin-2-yl]ethyl]methanesulfonamide Traditional Name: N-[2-[1-(2-imidazol-1-ylpyrimidin-4-yl)piperazin-2-yl]ethyl]-N-piperonyl-methanesulfonamide Formula: C22H27N7O4S MolecularWeight: 485.55928

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N(CCC1CNCCN1C2=NC(=NC=C2)N3C=CN=C3)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CS(=O)(=O)N(CCC1CNCCN1C2=NC(=NC=C2)N3C=CN=C3)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C22H27N7O4S/c1-34(30,31)28(14-17-2-3-19-20(12-17)33-16-32-19)9-5-18-13-23-8-11-29(18)21-4-6-25-22(26-21)27-10-7-24-15-27/h2-4,6-7,10,12,15,18,23H,5,8-9,11,13-14,16H2,1H3