1-[4-(3-ethanoylphenyl)sulfonylpiperazin-1-yl]-3-pyridin-3-yl-propan-1-one

Systemtic Name: 1-[4-(3-ethanoylphenyl)sulfonylpiperazin-1-yl]-3-pyridin-3-yl-propan-1-one Openeye Name: 1-[4-(3-acetylphenyl)sulfonylpiperazin-1-yl]-3-(3-pyridyl)propan-1-one CAS Name: 1-[4-(3-acetylphenyl)sulfonyl-1-piperazinyl]-3-(3-pyridinyl)-1-propanone IUPAC Name: 1-[4-(3-acetylphenyl)sulfonylpiperazin-1-yl]-3-pyridin-3-ylpropan-1-one Traditional Name: 1-[4-(3-acetylphenyl)sulfonylpiperazino]-3-(3-pyridyl)propan-1-one Formula: C20H23N3O4S MolecularWeight: 401.47932

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCN(CC2)C(=O)CCC3=CN=CC=C3

Isomeric SMILES

CC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCN(CC2)C(=O)CCC3=CN=CC=C3

InChI

InChI=1S/C20H23N3O4S/c1-16(24)18-5-2-6-19(14-18)28(26,27)23-12-10-22(11-13-23)20(25)8-7-17-4-3-9-21-15-17/h2-6,9,14-15H,7-8,10-13H2,1H3