N-(1,3-benzodioxol-5-yl)-1-[2-[(2-fluorophenyl)methylsulfanyl]phenyl]carbonyl-piperidine-4-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-1-[2-[(2-fluorophenyl)methylsulfanyl]phenyl]carbonyl-piperidine-4-carboxamide Openeye Name: N-(1,3-benzodioxol-5-yl)-1-[2-[(2-fluorophenyl)methylsulfanyl]benzoyl]piperidine-4-carboxamide CAS Name: N-(1,3-benzodioxol-5-yl)-1-[[2-[(2-fluorophenyl)methylthio]phenyl]-oxomethyl]-4-piperidinecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-1-[2-[(2-fluorophenyl)methylsulfanyl]benzoyl]piperidine-4-carboxamide Traditional Name: N-(1,3-benzodioxol-5-yl)-1-[2-[(2-fluorobenzyl)thio]benzoyl]isonipecotamide Formula: C27H25FN2O4S MolecularWeight: 492.561803

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NC2=CC3=C(C=C2)OCO3)C(=O)C4=CC=CC=C4SCC5=CC=CC=C5F

Isomeric SMILES

C1CN(CCC1C(=O)NC2=CC3=C(C=C2)OCO3)C(=O)C4=CC=CC=C4SCC5=CC=CC=C5F

InChI

InChI=1S/C27H25FN2O4S/c28-22-7-3-1-5-19(22)16-35-25-8-4-2-6-21(25)27(32)30-13-11-18(12-14-30)26(31)29-20-9-10-23-24(15-20)34-17-33-23/h1-10,15,18H,11-14,16-17H2,(H,29,31)