(6-ethoxypyridin-3-yl)-[4-(phenylsulfonyl)piperazin-1-yl]methanone

Systemtic Name: (6-ethoxypyridin-3-yl)-[4-(phenylsulfonyl)piperazin-1-yl]methanone Openeye Name: [4-(benzenesulfonyl)piperazin-1-yl]-(6-ethoxy-3-pyridyl)methanone CAS Name: [4-(benzenesulfonyl)-1-piperazinyl]-(6-ethoxy-3-pyridinyl)methanone IUPAC Name: [4-(benzenesulfonyl)piperazin-1-yl]-(6-ethoxypyridin-3-yl)methanone Traditional Name: (4-besylpiperazino)-(6-ethoxy-3-pyridyl)methanone Formula: C18H21N3O4S MolecularWeight: 375.44204

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=NC=C(C=C1)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CCOC1=NC=C(C=C1)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C18H21N3O4S/c1-2-25-17-9-8-15(14-19-17)18(22)20-10-12-21(13-11-20)26(23,24)16-6-4-3-5-7-16/h3-9,14H,2,10-13H2,1H3