(2-fluoranyl-4-methoxy-phenyl)-[4-(5-morpholin-4-ylsulfonylpyridin-2-yl)piperazin-1-yl]methanone

Systemtic Name: (2-fluoranyl-4-methoxy-phenyl)-[4-(5-morpholin-4-ylsulfonylpyridin-2-yl)piperazin-1-yl]methanone Openeye Name: (2-fluoro-4-methoxy-phenyl)-[4-(5-morpholinosulfonyl-2-pyridyl)piperazin-1-yl]methanone CAS Name: (2-fluoro-4-methoxyphenyl)-[4-[5-(4-morpholinylsulfonyl)-2-pyridinyl]-1-piperazinyl]methanone IUPAC Name: (2-fluoro-4-methoxyphenyl)-[4-(5-morpholin-4-ylsulfonylpyridin-2-yl)piperazin-1-yl]methanone Traditional Name: (2-fluoro-4-methoxy-phenyl)-[4-(5-morpholinosulfonyl-2-pyridyl)piperazino]methanone Formula: C21H25FN4O5S MolecularWeight: 464.510403

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C(=O)N2CCN(CC2)C3=NC=C(C=C3)S(=O)(=O)N4CCOCC4)F

Isomeric SMILES

COC1=CC(=C(C=C1)C(=O)N2CCN(CC2)C3=NC=C(C=C3)S(=O)(=O)N4CCOCC4)F

InChI

InChI=1S/C21H25FN4O5S/c1-30-16-2-4-18(19(22)14-16)21(27)25-8-6-24(7-9-25)20-5-3-17(15-23-20)32(28,29)26-10-12-31-13-11-26/h2-5,14-15H,6-13H2,1H3