2-(3-piperidin-1-ylsulfonylphenyl)-5H-[1,2,4]triazolo[5,1-a]isoindole

Systemtic Name: 2-(3-piperidin-1-ylsulfonylphenyl)-5H-[1,2,4]triazolo[5,1-a]isoindole Openeye Name: 2-[3-(1-piperidylsulfonyl)phenyl]-5H-[1,2,4]triazolo[5,1-a]isoindole CAS Name: 2-[3-(1-piperidinylsulfonyl)phenyl]-5H-[1,2,4]triazolo[5,1-a]isoindole IUPAC Name: 2-(3-piperidin-1-ylsulfonylphenyl)-5H-[1,2,4]triazolo[5,1-a]isoindole Traditional Name: 2-(3-piperidinosulfonylphenyl)-5H-[1,2,4]triazol[5,1-a]isoindole Formula: C20H20N4O2S MolecularWeight: 380.4634

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C3=NN4CC5=CC=CC=C5C4=N3

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C3=NN4CC5=CC=CC=C5C4=N3

InChI

InChI=1S/C20H20N4O2S/c25-27(26,23-11-4-1-5-12-23)17-9-6-8-15(13-17)19-21-20-18-10-3-2-7-16(18)14-24(20)22-19/h2-3,6-10,13H,1,4-5,11-12,14H2