N-[4-azanyl-5-[4,5-bis(fluoranyl)-2-methoxy-phenyl]carbonyl-pyrimidin-2-yl]-N-piperidin-4-yl-methanesulfonamide

Systemtic Name: N-[4-azanyl-5-[4,5-bis(fluoranyl)-2-methoxy-phenyl]carbonyl-pyrimidin-2-yl]-N-piperidin-4-yl-methanesulfonamide Openeye Name: N-[4-amino-5-(4,5-difluoro-2-methoxy-benzoyl)pyrimidin-2-yl]-N-(4-piperidyl)methanesulfonamide CAS Name: N-[4-amino-5-[(4,5-difluoro-2-methoxyphenyl)-oxomethyl]-2-pyrimidinyl]-N-(4-piperidinyl)methanesulfonamide IUPAC Name: N-[4-amino-5-(4,5-difluoro-2-methoxybenzoyl)pyrimidin-2-yl]-N-piperidin-4-ylmethanesulfonamide Traditional Name: N-[4-amino-5-(4,5-difluoro-2-methoxy-benzoyl)pyrimidin-2-yl]-N-(4-piperidyl)methanesulfonamide Formula: C18H21F2N5O4S MolecularWeight: 441.452246

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1C(=O)C2=CN=C(N=C2N)N(C3CCNCC3)S(=O)(=O)C)F)F

Isomeric SMILES

COC1=CC(=C(C=C1C(=O)C2=CN=C(N=C2N)N(C3CCNCC3)S(=O)(=O)C)F)F

InChI

InChI=1S/C18H21F2N5O4S/c1-29-15-8-14(20)13(19)7-11(15)16(26)12-9-23-18(24-17(12)21)25(30(2,27)28)10-3-5-22-6-4-10/h7-10,22H,3-6H2,1-2H3,(H2,21,23,24)