1-(4-ethanoylpiperazin-1-yl)-2-[(3-pyridin-2-ylphenyl)methylsulfinyl]ethanone

Systemtic Name: 1-(4-ethanoylpiperazin-1-yl)-2-[(3-pyridin-2-ylphenyl)methylsulfinyl]ethanone Openeye Name: 1-(4-acetylpiperazin-1-yl)-2-[[3-(2-pyridyl)phenyl]methylsulfinyl]ethanone CAS Name: 1-(4-acetyl-1-piperazinyl)-2-[[3-(2-pyridinyl)phenyl]methylsulfinyl]ethanone IUPAC Name: 1-(4-acetylpiperazin-1-yl)-2-[(3-pyridin-2-ylphenyl)methylsulfinyl]ethanone Traditional Name: 1-(4-acetylpiperazino)-2-[3-(2-pyridyl)benzyl]sulfinyl-ethanone Formula: C20H23N3O3S MolecularWeight: 385.47992

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)C(=O)CS(=O)CC2=CC=CC(=C2)C3=CC=CC=N3

Isomeric SMILES

CC(=O)N1CCN(CC1)C(=O)CS(=O)CC2=CC=CC(=C2)C3=CC=CC=N3

InChI

InChI=1S/C20H23N3O3S/c1-16(24)22-9-11-23(12-10-22)20(25)15-27(26)14-17-5-4-6-18(13-17)19-7-2-3-8-21-19/h2-8,13H,9-12,14-15H2,1H3