N-[2-(5-fluoranyl-1H-indol-3-yl)ethyl]-4-[2-(2-phenoxyethylsulfanyl)ethanoylamino]piperidine-4-carboxamide

Systemtic Name: N-[2-(5-fluoranyl-1H-indol-3-yl)ethyl]-4-[2-(2-phenoxyethylsulfanyl)ethanoylamino]piperidine-4-carboxamide Openeye Name: N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-4-[[2-(2-phenoxyethylsulfanyl)acetyl]amino]piperidine-4-carboxamide CAS Name: N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-4-[[1-oxo-2-(2-phenoxyethylthio)ethyl]amino]-4-piperidinecarboxamide IUPAC Name: N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-4-[[2-(2-phenoxyethylsulfanyl)acetyl]amino]piperidine-4-carboxamide Traditional Name: N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-4-[[2-(2-phenoxyethylthio)acetyl]amino]isonipecotamide Formula: C26H31FN4O3S MolecularWeight: 498.612743

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCC1(C(=O)NCCC2=CNC3=C2C=C(C=C3)F)NC(=O)CSCCOC4=CC=CC=C4

Isomeric SMILES

C1CNCCC1(C(=O)NCCC2=CNC3=C2C=C(C=C3)F)NC(=O)CSCCOC4=CC=CC=C4

InChI

InChI=1S/C26H31FN4O3S/c27-20-6-7-23-22(16-20)19(17-30-23)8-11-29-25(33)26(9-12-28-13-10-26)31-24(32)18-35-15-14-34-21-4-2-1-3-5-21/h1-7,16-17,28,30H,8-15,18H2,(H,29,33)(H,31,32)