N-[(3-fluoranyl-4-methyl-phenyl)methyl]-4-(5-morpholin-4-ylsulfonylpyridin-2-yl)piperazine-1-carboxamide

Systemtic Name: N-[(3-fluoranyl-4-methyl-phenyl)methyl]-4-(5-morpholin-4-ylsulfonylpyridin-2-yl)piperazine-1-carboxamide Openeye Name: N-[(3-fluoro-4-methyl-phenyl)methyl]-4-(5-morpholinosulfonyl-2-pyridyl)piperazine-1-carboxamide CAS Name: N-[(3-fluoro-4-methylphenyl)methyl]-4-[5-(4-morpholinylsulfonyl)-2-pyridinyl]-1-piperazinecarboxamide IUPAC Name: N-[(3-fluoro-4-methylphenyl)methyl]-4-(5-morpholin-4-ylsulfonylpyridin-2-yl)piperazine-1-carboxamide Traditional Name: N-(3-fluoro-4-methyl-benzyl)-4-(5-morpholinosulfonyl-2-pyridyl)piperazine-1-carboxamide Formula: C22H28FN5O4S MolecularWeight: 477.552223

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28FN5O4S/c1-17-2-3-18(14-20(17)23)15-25-22(29)27-8-6-26(7-9-27)21-5-4-19(16-24-21)33(30,31)28-10-12-32-13-11-28/h2-5,14,16H,6-13,15H2,1H3,(H,25,29)