N-[2-(5-fluoranyl-1H-indol-3-yl)ethyl]-4-[2-(6-methoxy-3-nitro-pyridin-2-yl)sulfanylpropanoylamino]piperidine-4-carboxamide

Systemtic Name: N-[2-(5-fluoranyl-1H-indol-3-yl)ethyl]-4-[2-(6-methoxy-3-nitro-pyridin-2-yl)sulfanylpropanoylamino]piperidine-4-carboxamide Openeye Name: N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-4-[2-[(6-methoxy-3-nitro-2-pyridyl)sulfanyl]propanoylamino]piperidine-4-carboxamide CAS Name: N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-4-[[2-[(6-methoxy-3-nitro-2-pyridinyl)thio]-1-oxopropyl]amino]-4-piperidinecarboxamide IUPAC Name: N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-4-[2-(6-methoxy-3-nitropyridin-2-yl)sulfanylpropanoylamino]piperidine-4-carboxamide Traditional Name: N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-4-[2-[(6-methoxy-3-nitro-2-pyridyl)thio]propanoylamino]isonipecotamide Formula: C25H29FN6O5S MolecularWeight: 544.598363

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1(CCNCC1)C(=O)NCCC2=CNC3=C2C=C(C=C3)F)SC4=C(C=CC(=N4)OC)[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)NC1(CCNCC1)C(=O)NCCC2=CNC3=C2C=C(C=C3)F)SC4=C(C=CC(=N4)OC)[N+](=O)[O-]

InChI

InChI=1S/C25H29FN6O5S/c1-15(38-23-20(32(35)36)5-6-21(30-23)37-2)22(33)31-25(8-11-27-12-9-25)24(34)28-10-7-16-14-29-19-4-3-17(26)13-18(16)19/h3-6,13-15,27,29H,7-12H2,1-2H3,(H,28,34)(H,31,33)