[4-(6-methylpyridin-3-yl)piperazin-1-yl]-(5-methylsulfonyl-2-morpholin-4-yl-phenyl)methanone

Systemtic Name: [4-(6-methylpyridin-3-yl)piperazin-1-yl]-(5-methylsulfonyl-2-morpholin-4-yl-phenyl)methanone Openeye Name: [4-(6-methyl-3-pyridyl)piperazin-1-yl]-(5-methylsulfonyl-2-morpholino-phenyl)methanone CAS Name: [4-(6-methyl-3-pyridinyl)-1-piperazinyl]-[5-methylsulfonyl-2-(4-morpholinyl)phenyl]methanone IUPAC Name: [4-(6-methylpyridin-3-yl)piperazin-1-yl]-(5-methylsulfonyl-2-morpholin-4-ylphenyl)methanone Traditional Name: (5-mesyl-2-morpholino-phenyl)-[4-(6-methyl-3-pyridyl)piperazino]methanone Formula: C22H28N4O4S MolecularWeight: 444.54712

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C=C1)N2CCN(CC2)C(=O)C3=C(C=CC(=C3)S(=O)(=O)C)N4CCOCC4

Isomeric SMILES

CC1=NC=C(C=C1)N2CCN(CC2)C(=O)C3=C(C=CC(=C3)S(=O)(=O)C)N4CCOCC4

InChI

InChI=1S/C22H28N4O4S/c1-17-3-4-18(16-23-17)24-7-9-26(10-8-24)22(27)20-15-19(31(2,28)29)5-6-21(20)25-11-13-30-14-12-25/h3-6,15-16H,7-14H2,1-2H3