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

Systemtic Name: N-(3-fluoranyl-4-methoxy-phenyl)-5-(2-phenylethynyl)-N-propylsulfonyl-pyridine-3-carboxamide Openeye Name: N-(3-fluoro-4-methoxy-phenyl)-5-(2-phenylethynyl)-N-propylsulfonyl-pyridine-3-carboxamide CAS Name: N-(3-fluoro-4-methoxyphenyl)-5-(2-phenylethynyl)-N-propylsulfonyl-3-pyridinecarboxamide IUPAC Name: N-(3-fluoro-4-methoxyphenyl)-5-(2-phenylethynyl)-N-propylsulfonylpyridine-3-carboxamide Traditional Name: N-(3-fluoro-4-methoxy-phenyl)-5-(2-phenylethynyl)-N-propylsulfonyl-nicotinamide Formula: C24H21FN2O4S MolecularWeight: 452.497943

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H21FN2O4S/c1-3-13-32(29,30)27(21-11-12-23(31-2)22(25)15-21)24(28)20-14-19(16-26-17-20)10-9-18-7-5-4-6-8-18/h4-8,11-12,14-17H,3,13H2,1-2H3