N-[3-(4-bromanyl-2-methyl-pyrazol-3-yl)-5-pyrrolidin-1-yl-phenyl]-4-fluoranyl-benzenesulfonamide

Systemtic Name: N-[3-(4-bromanyl-2-methyl-pyrazol-3-yl)-5-pyrrolidin-1-yl-phenyl]-4-fluoranyl-benzenesulfonamide Openeye Name: N-[3-(4-bromo-2-methyl-pyrazol-3-yl)-5-pyrrolidin-1-yl-phenyl]-4-fluoro-benzenesulfonamide CAS Name: N-[3-(4-bromo-2-methyl-3-pyrazolyl)-5-(1-pyrrolidinyl)phenyl]-4-fluorobenzenesulfonamide IUPAC Name: N-[3-(4-bromo-2-methylpyrazol-3-yl)-5-pyrrolidin-1-ylphenyl]-4-fluorobenzenesulfonamide Traditional Name: N-[3-(4-bromo-2-methyl-pyrazol-3-yl)-5-pyrrolidino-phenyl]-4-fluoro-benzenesulfonamide Formula: C20H20BrFN4O2S MolecularWeight: 479.365803

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C=N1)Br)C2=CC(=CC(=C2)NS(=O)(=O)C3=CC=C(C=C3)F)N4CCCC4

Isomeric SMILES

CN1C(=C(C=N1)Br)C2=CC(=CC(=C2)NS(=O)(=O)C3=CC=C(C=C3)F)N4CCCC4

InChI

InChI=1S/C20H20BrFN4O2S/c1-25-20(19(21)13-23-25)14-10-16(12-17(11-14)26-8-2-3-9-26)24-29(27,28)18-6-4-15(22)5-7-18/h4-7,10-13,24H,2-3,8-9H2,1H3