N-[4-azanyl-5-[2,6-bis(fluoranyl)-3-methoxy-phenyl]carbonyl-pyrimidin-2-yl]-N-piperidin-4-yl-methanesulfonamide

Systemtic Name: N-[4-azanyl-5-[2,6-bis(fluoranyl)-3-methoxy-phenyl]carbonyl-pyrimidin-2-yl]-N-piperidin-4-yl-methanesulfonamide Openeye Name: N-[4-amino-5-(2,6-difluoro-3-methoxy-benzoyl)pyrimidin-2-yl]-N-(4-piperidyl)methanesulfonamide CAS Name: N-[4-amino-5-[(2,6-difluoro-3-methoxyphenyl)-oxomethyl]-2-pyrimidinyl]-N-(4-piperidinyl)methanesulfonamide IUPAC Name: N-[4-amino-5-(2,6-difluoro-3-methoxybenzoyl)pyrimidin-2-yl]-N-piperidin-4-ylmethanesulfonamide Traditional Name: N-[4-amino-5-(2,6-difluoro-3-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=C(C(=C(C=C1)F)C(=O)C2=CN=C(N=C2N)N(C3CCNCC3)S(=O)(=O)C)F

Isomeric SMILES

COC1=C(C(=C(C=C1)F)C(=O)C2=CN=C(N=C2N)N(C3CCNCC3)S(=O)(=O)C)F

InChI

InChI=1S/C18H21F2N5O4S/c1-29-13-4-3-12(19)14(15(13)20)16(26)11-9-23-18(24-17(11)21)25(30(2,27)28)10-5-7-22-8-6-10/h3-4,9-10,22H,5-8H2,1-2H3,(H2,21,23,24)