5-(3-fluoranyl-4-methyl-phenyl)-N-(4-piperidin-1-ylsulfonylphenyl)-1,2-oxazole-3-carboxamide

Systemtic Name: 5-(3-fluoranyl-4-methyl-phenyl)-N-(4-piperidin-1-ylsulfonylphenyl)-1,2-oxazole-3-carboxamide Openeye Name: 5-(3-fluoro-4-methyl-phenyl)-N-[4-(1-piperidylsulfonyl)phenyl]isoxazole-3-carboxamide CAS Name: 5-(3-fluoro-4-methylphenyl)-N-[4-(1-piperidinylsulfonyl)phenyl]-3-isoxazolecarboxamide IUPAC Name: 5-(3-fluoro-4-methylphenyl)-N-(4-piperidin-1-ylsulfonylphenyl)-1,2-oxazole-3-carboxamide Traditional Name: 5-(3-fluoro-4-methyl-phenyl)-N-(4-piperidinosulfonylphenyl)isoxazole-3-carboxamide Formula: C22H22FN3O4S MolecularWeight: 443.491183

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=CC(=NO2)C(=O)NC3=CC=C(C=C3)S(=O)(=O)N4CCCCC4)F

Isomeric SMILES

CC1=C(C=C(C=C1)C2=CC(=NO2)C(=O)NC3=CC=C(C=C3)S(=O)(=O)N4CCCCC4)F

InChI

InChI=1S/C22H22FN3O4S/c1-15-5-6-16(13-19(15)23)21-14-20(25-30-21)22(27)24-17-7-9-18(10-8-17)31(28,29)26-11-3-2-4-12-26/h5-10,13-14H,2-4,11-12H2,1H3,(H,24,27)