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

Systemtic Name: (3-fluoranyl-4-methyl-phenyl)-[4-(5-morpholin-4-ylsulfonylpyridin-2-yl)piperazin-1-yl]methanone Openeye Name: (3-fluoro-4-methyl-phenyl)-[4-(5-morpholinosulfonyl-2-pyridyl)piperazin-1-yl]methanone CAS Name: (3-fluoro-4-methylphenyl)-[4-[5-(4-morpholinylsulfonyl)-2-pyridinyl]-1-piperazinyl]methanone IUPAC Name: (3-fluoro-4-methylphenyl)-[4-(5-morpholin-4-ylsulfonylpyridin-2-yl)piperazin-1-yl]methanone Traditional Name: (3-fluoro-4-methyl-phenyl)-[4-(5-morpholinosulfonyl-2-pyridyl)piperazino]methanone Formula: C21H25FN4O4S MolecularWeight: 448.511003

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25FN4O4S/c1-16-2-3-17(14-19(16)22)21(27)25-8-6-24(7-9-25)20-5-4-18(15-23-20)31(28,29)26-10-12-30-13-11-26/h2-5,14-15H,6-13H2,1H3