1-(1,3-benzoxazol-2-yl)-N-(2-fluoranyl-5-methylsulfonyl-phenyl)piperidine-4-carboxamide

Systemtic Name: 1-(1,3-benzoxazol-2-yl)-N-(2-fluoranyl-5-methylsulfonyl-phenyl)piperidine-4-carboxamide Openeye Name: 1-(1,3-benzoxazol-2-yl)-N-(2-fluoro-5-methylsulfonyl-phenyl)piperidine-4-carboxamide CAS Name: 1-(1,3-benzoxazol-2-yl)-N-(2-fluoro-5-methylsulfonylphenyl)-4-piperidinecarboxamide IUPAC Name: 1-(1,3-benzoxazol-2-yl)-N-(2-fluoro-5-methylsulfonylphenyl)piperidine-4-carboxamide Traditional Name: 1-(1,3-benzoxazol-2-yl)-N-(2-fluoro-5-mesyl-phenyl)isonipecotamide Formula: C20H20FN3O4S MolecularWeight: 417.453903

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)F)NC(=O)C2CCN(CC2)C3=NC4=CC=CC=C4O3

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)F)NC(=O)C2CCN(CC2)C3=NC4=CC=CC=C4O3

InChI

InChI=1S/C20H20FN3O4S/c1-29(26,27)14-6-7-15(21)17(12-14)22-19(25)13-8-10-24(11-9-13)20-23-16-4-2-3-5-18(16)28-20/h2-7,12-13H,8-11H2,1H3,(H,22,25)