4-[(3-fluorophenyl)methyl]-4-(hydroxymethyl)-N-(2-methylsulfanylphenyl)piperidine-1-carboxamide

Systemtic Name: 4-[(3-fluorophenyl)methyl]-4-(hydroxymethyl)-N-(2-methylsulfanylphenyl)piperidine-1-carboxamide Openeye Name: 4-[(3-fluorophenyl)methyl]-4-(hydroxymethyl)-N-(2-methylsulfanylphenyl)piperidine-1-carboxamide CAS Name: 4-[(3-fluorophenyl)methyl]-4-(hydroxymethyl)-N-[2-(methylthio)phenyl]-1-piperidinecarboxamide IUPAC Name: 4-[(3-fluorophenyl)methyl]-4-(hydroxymethyl)-N-(2-methylsulfanylphenyl)piperidine-1-carboxamide Traditional Name: 4-(3-fluorobenzyl)-4-methylol-N-[2-(methylthio)phenyl]piperidine-1-carboxamide Formula: C21H25FN2O2S MolecularWeight: 388.498803

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC=C1NC(=O)N2CCC(CC2)(CC3=CC(=CC=C3)F)CO

Isomeric SMILES

CSC1=CC=CC=C1NC(=O)N2CCC(CC2)(CC3=CC(=CC=C3)F)CO

InChI

InChI=1S/C21H25FN2O2S/c1-27-19-8-3-2-7-18(19)23-20(26)24-11-9-21(15-25,10-12-24)14-16-5-4-6-17(22)13-16/h2-8,13,25H,9-12,14-15H2,1H3,(H,23,26)