1-(4-pyridin-3-ylsulfonylpiperazin-1-yl)-4-thiophen-2-yl-butan-1-one

Systemtic Name: 1-(4-pyridin-3-ylsulfonylpiperazin-1-yl)-4-thiophen-2-yl-butan-1-one Openeye Name: 1-[4-(3-pyridylsulfonyl)piperazin-1-yl]-4-(2-thienyl)butan-1-one CAS Name: 1-[4-(3-pyridinylsulfonyl)-1-piperazinyl]-4-thiophen-2-yl-1-butanone IUPAC Name: 1-(4-pyridin-3-ylsulfonylpiperazin-1-yl)-4-thiophen-2-ylbutan-1-one Traditional Name: 1-[4-(3-pyridylsulfonyl)piperazino]-4-(2-thienyl)butan-1-one Formula: C17H21N3O3S2 MolecularWeight: 379.49694

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CCCC2=CC=CS2)S(=O)(=O)C3=CN=CC=C3

Isomeric SMILES

C1CN(CCN1C(=O)CCCC2=CC=CS2)S(=O)(=O)C3=CN=CC=C3

InChI

InChI=1S/C17H21N3O3S2/c21-17(7-1-4-15-5-3-13-24-15)19-9-11-20(12-10-19)25(22,23)16-6-2-8-18-14-16/h2-3,5-6,8,13-14H,1,4,7,9-12H2