CHEBI:92006 - 2-(4-fluorophenyl)sulfonyl-3-[1-(3-nitrophenyl)sulfonyl-2-pyrrolyl]-2-propenenitrile

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 2-(4-fluorophenyl)sulfonyl-3-[1-(3-nitrophenyl)sulfonyl-2-pyrrolyl]-2-propenenitrile
ChEBI ID CHEBI:92006
Stars This entity has been manually annotated by a third party.
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Formula C19H12FN3O6S2
Net Charge 0
Average Mass 461.446
Monoisotopic Mass 461.01516
InChI InChI=1S/C19H12FN3O6S2/c20-14-6-8-17(9-7-14)30(26,27)19(13-21)11-15-4-2-10-22(15)31(28,29)18-5-1-3-16(12-18)23(24)25/h1-12H
InChIKey GUCUORSUHTZMBW-UHFFFAOYSA-N
SMILES C1=CC(=CC(=C1)S(=O)(=O)N2C=CC=C2C=C(C#N)S(=O)(=O)C3=CC=C(C=C3)F)[N+](=O)[O-]
ChEBI Ontology
Outgoing 2-(4-fluorophenyl)sulfonyl-3-[1-(3-nitrophenyl)sulfonyl-2-pyrrolyl]-2-propenenitrile (CHEBI:92006) is a sulfonamide (CHEBI:35358)
Manual Xref Database
LSM-1977 LINCS
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