N-[3-[[4-azanyl-5-(5-fluoranyl-2-methoxy-phenyl)carbonyl-pyrimidin-2-yl]amino]propyl]benzenesulfonamide

Systemtic Name: N-[3-[[4-azanyl-5-(5-fluoranyl-2-methoxy-phenyl)carbonyl-pyrimidin-2-yl]amino]propyl]benzenesulfonamide Openeye Name: N-[3-[[4-amino-5-(5-fluoro-2-methoxy-benzoyl)pyrimidin-2-yl]amino]propyl]benzenesulfonamide CAS Name: N-[3-[[4-amino-5-[(5-fluoro-2-methoxyphenyl)-oxomethyl]-2-pyrimidinyl]amino]propyl]benzenesulfonamide IUPAC Name: N-[3-[[4-amino-5-(5-fluoro-2-methoxybenzoyl)pyrimidin-2-yl]amino]propyl]benzenesulfonamide Traditional Name: N-[3-[[4-amino-5-(5-fluoro-2-methoxy-benzoyl)pyrimidin-2-yl]amino]propyl]benzenesulfonamide Formula: C21H22FN5O4S MolecularWeight: 459.493883

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22FN5O4S/c1-31-18-9-8-14(22)12-16(18)19(28)17-13-25-21(27-20(17)23)24-10-5-11-26-32(29,30)15-6-3-2-4-7-15/h2-4,6-9,12-13,26H,5,10-11H2,1H3,(H3,23,24,25,27)