N-(3-fluoranyl-4-methoxy-phenyl)-5-(2-phenylethynyl)-N-propylsulfonyl-furan-2-carboxamide

Systemtic Name: N-(3-fluoranyl-4-methoxy-phenyl)-5-(2-phenylethynyl)-N-propylsulfonyl-furan-2-carboxamide Openeye Name: N-(3-fluoro-4-methoxy-phenyl)-5-(2-phenylethynyl)-N-propylsulfonyl-furan-2-carboxamide CAS Name: N-(3-fluoro-4-methoxyphenyl)-5-(2-phenylethynyl)-N-propylsulfonyl-2-furancarboxamide IUPAC Name: N-(3-fluoro-4-methoxyphenyl)-5-(2-phenylethynyl)-N-propylsulfonylfuran-2-carboxamide Traditional Name: N-(3-fluoro-4-methoxy-phenyl)-5-(2-phenylethynyl)-N-propylsulfonyl-2-furamide Formula: C23H20FNO5S MolecularWeight: 441.472003

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Descriptors Computed from Structure

Canonical SMILES:

CCCS(=O)(=O)N(C1=CC(=C(C=C1)OC)F)C(=O)C2=CC=C(O2)C#CC3=CC=CC=C3

Isomeric SMILES

CCCS(=O)(=O)N(C1=CC(=C(C=C1)OC)F)C(=O)C2=CC=C(O2)C#CC3=CC=CC=C3

InChI

InChI=1S/C23H20FNO5S/c1-3-15-31(27,28)25(18-10-13-21(29-2)20(24)16-18)23(26)22-14-12-19(30-22)11-9-17-7-5-4-6-8-17/h4-8,10,12-14,16H,3,15H2,1-2H3