N-(3-ethanoylphenyl)-1-[(2-fluorophenyl)methylsulfonyl]piperidine-4-carboxamide

Systemtic Name: N-(3-ethanoylphenyl)-1-[(2-fluorophenyl)methylsulfonyl]piperidine-4-carboxamide Openeye Name: N-(3-acetylphenyl)-1-[(2-fluorophenyl)methylsulfonyl]piperidine-4-carboxamide CAS Name: N-(3-acetylphenyl)-1-[(2-fluorophenyl)methylsulfonyl]-4-piperidinecarboxamide IUPAC Name: N-(3-acetylphenyl)-1-[(2-fluorophenyl)methylsulfonyl]piperidine-4-carboxamide Traditional Name: N-(3-acetylphenyl)-1-(2-fluorobenzyl)sulfonyl-isonipecotamide Formula: C21H23FN2O4S MolecularWeight: 418.481723

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CC=C1)NC(=O)C2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3F

Isomeric SMILES

CC(=O)C1=CC(=CC=C1)NC(=O)C2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3F

InChI

InChI=1S/C21H23FN2O4S/c1-15(25)17-6-4-7-19(13-17)23-21(26)16-9-11-24(12-10-16)29(27,28)14-18-5-2-3-8-20(18)22/h2-8,13,16H,9-12,14H2,1H3,(H,23,26)