N-[4-[[4-azanyl-5-(5-fluoranyl-2-methoxy-phenyl)carbonyl-pyrimidin-2-yl]amino]butyl]-4-fluoranyl-benzenesulfonamide

Systemtic Name: N-[4-[[4-azanyl-5-(5-fluoranyl-2-methoxy-phenyl)carbonyl-pyrimidin-2-yl]amino]butyl]-4-fluoranyl-benzenesulfonamide Openeye Name: N-[4-[[4-amino-5-(5-fluoro-2-methoxy-benzoyl)pyrimidin-2-yl]amino]butyl]-4-fluoro-benzenesulfonamide CAS Name: N-[4-[[4-amino-5-[(5-fluoro-2-methoxyphenyl)-oxomethyl]-2-pyrimidinyl]amino]butyl]-4-fluorobenzenesulfonamide IUPAC Name: N-[4-[[4-amino-5-(5-fluoro-2-methoxybenzoyl)pyrimidin-2-yl]amino]butyl]-4-fluorobenzenesulfonamide Traditional Name: N-[4-[[4-amino-5-(5-fluoro-2-methoxy-benzoyl)pyrimidin-2-yl]amino]butyl]-4-fluoro-benzenesulfonamide Formula: C22H23F2N5O4S MolecularWeight: 491.510926

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)F)C(=O)C2=CN=C(N=C2N)NCCCCNS(=O)(=O)C3=CC=C(C=C3)F

Isomeric SMILES

COC1=C(C=C(C=C1)F)C(=O)C2=CN=C(N=C2N)NCCCCNS(=O)(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C22H23F2N5O4S/c1-33-19-9-6-15(24)12-17(19)20(30)18-13-27-22(29-21(18)25)26-10-2-3-11-28-34(31,32)16-7-4-14(23)5-8-16/h4-9,12-13,28H,2-3,10-11H2,1H3,(H3,25,26,27,29)