4-[[4-[(3-chloranyl-4-methoxy-phenyl)amino]-5-fluoranyl-pyrimidin-2-yl]amino]benzenesulfonamide

Systemtic Name: 4-[[4-[(3-chloranyl-4-methoxy-phenyl)amino]-5-fluoranyl-pyrimidin-2-yl]amino]benzenesulfonamide Openeye Name: 4-[[4-(3-chloro-4-methoxy-anilino)-5-fluoro-pyrimidin-2-yl]amino]benzenesulfonamide CAS Name: 4-[[4-(3-chloro-4-methoxyanilino)-5-fluoro-2-pyrimidinyl]amino]benzenesulfonamide IUPAC Name: 4-[[4-(3-chloro-4-methoxyanilino)-5-fluoropyrimidin-2-yl]amino]benzenesulfonamide Traditional Name: 4-[[4-(3-chloro-4-methoxy-anilino)-5-fluoro-pyrimidin-2-yl]amino]benzenesulfonamide Formula: C17H15ClFN5O3S MolecularWeight: 423.849103

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC2=NC(=NC=C2F)NC3=CC=C(C=C3)S(=O)(=O)N)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)NC2=NC(=NC=C2F)NC3=CC=C(C=C3)S(=O)(=O)N)Cl

InChI

InChI=1S/C17H15ClFN5O3S/c1-27-15-7-4-11(8-13(15)18)22-16-14(19)9-21-17(24-16)23-10-2-5-12(6-3-10)28(20,25)26/h2-9H,1H3,(H2,20,25,26)(H2,21,22,23,24)