N-[3-(4-fluorophenyl)sulfanylpropyl]-1-(phenylsulfonyl)piperidine-3-carboxamide

Systemtic Name: N-[3-(4-fluorophenyl)sulfanylpropyl]-1-(phenylsulfonyl)piperidine-3-carboxamide Openeye Name: 1-(benzenesulfonyl)-N-[3-(4-fluorophenyl)sulfanylpropyl]piperidine-3-carboxamide CAS Name: 1-(benzenesulfonyl)-N-[3-[(4-fluorophenyl)thio]propyl]-3-piperidinecarboxamide IUPAC Name: 1-(benzenesulfonyl)-N-[3-(4-fluorophenyl)sulfanylpropyl]piperidine-3-carboxamide Traditional Name: 1-besyl-N-[3-[(4-fluorophenyl)thio]propyl]nipecotamide Formula: C21H25FN2O3S2 MolecularWeight: 436.563203

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)S(=O)(=O)C2=CC=CC=C2)C(=O)NCCCSC3=CC=C(C=C3)F

Isomeric SMILES

C1CC(CN(C1)S(=O)(=O)C2=CC=CC=C2)C(=O)NCCCSC3=CC=C(C=C3)F

InChI

InChI=1S/C21H25FN2O3S2/c22-18-9-11-19(12-10-18)28-15-5-13-23-21(25)17-6-4-14-24(16-17)29(26,27)20-7-2-1-3-8-20/h1-3,7-12,17H,4-6,13-16H2,(H,23,25)