8-chloranyl-5-methylsulfonyl-1-(1-pyridin-2-ylpiperidin-4-yl)-4,6-dihydro-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine

Systemtic Name: 8-chloranyl-5-methylsulfonyl-1-(1-pyridin-2-ylpiperidin-4-yl)-4,6-dihydro-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine Openeye Name: 8-chloro-5-methylsulfonyl-1-[1-(2-pyridyl)-4-piperidyl]-4,6-dihydro-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine CAS Name: 8-chloro-5-methylsulfonyl-1-[1-(2-pyridinyl)-4-piperidinyl]-4,6-dihydro-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine IUPAC Name: 8-chloro-5-methylsulfonyl-1-(1-pyridin-2-ylpiperidin-4-yl)-4,6-dihydro-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine Traditional Name: 8-chloro-5-mesyl-1-[1-(2-pyridyl)-4-piperidyl]-4,6-dihydro-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine Formula: C21H23ClN6O2S MolecularWeight: 458.96432

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CC2=C(C=CC(=C2)Cl)N3C(=NN=C3C4CCN(CC4)C5=CC=CC=N5)C1

Isomeric SMILES

CS(=O)(=O)N1CC2=C(C=CC(=C2)Cl)N3C(=NN=C3C4CCN(CC4)C5=CC=CC=N5)C1

InChI

InChI=1S/C21H23ClN6O2S/c1-31(29,30)27-13-16-12-17(22)5-6-18(16)28-20(14-27)24-25-21(28)15-7-10-26(11-8-15)19-4-2-3-9-23-19/h2-6,9,12,15H,7-8,10-11,13-14H2,1H3