3-[(3-chlorophenyl)methyl]-5-[1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidin-4-yl]-2H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one

Systemtic Name: 3-[(3-chlorophenyl)methyl]-5-[1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidin-4-yl]-2H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one Openeye Name: 3-[(3-chlorophenyl)methyl]-5-[1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-piperidyl]-2H-triazolo[4,5-d]pyrimidin-7-one CAS Name: 3-[(3-chlorophenyl)methyl]-5-[1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-piperidinyl]-2H-triazolo[4,5-d]pyrimidin-7-one IUPAC Name: 3-[(3-chlorophenyl)methyl]-5-[1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidin-4-yl]-2H-triazolo[4,5-d]pyrimidin-7-one Traditional Name: 3-(3-chlorobenzyl)-5-[1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-piperidyl]-2H-triazolo[4,5-d]pyrimidin-7-one Formula: C24H23ClN6O5S MolecularWeight: 542.99462

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C2=NC(=O)C3=NNN(C3=N2)CC4=CC(=CC=C4)Cl)S(=O)(=O)C5=CC6=C(C=C5)OCCO6

Isomeric SMILES

C1CN(CCC1C2=NC(=O)C3=NNN(C3=N2)CC4=CC(=CC=C4)Cl)S(=O)(=O)C5=CC6=C(C=C5)OCCO6

InChI

InChI=1S/C24H23ClN6O5S/c25-17-3-1-2-15(12-17)14-31-23-21(28-29-31)24(32)27-22(26-23)16-6-8-30(9-7-16)37(33,34)18-4-5-19-20(13-18)36-11-10-35-19/h1-5,12-13,16,29H,6-11,14H2