N-[2-(1-butyl-4,5-diphenyl-imidazol-2-yl)sulfanylethyl]-4-fluoranyl-benzenesulfonamide

Systemtic Name: N-[2-(1-butyl-4,5-diphenyl-imidazol-2-yl)sulfanylethyl]-4-fluoranyl-benzenesulfonamide Openeye Name: N-[2-(1-butyl-4,5-diphenyl-imidazol-2-yl)sulfanylethyl]-4-fluoro-benzenesulfonamide CAS Name: N-[2-[(1-butyl-4,5-diphenyl-2-imidazolyl)thio]ethyl]-4-fluorobenzenesulfonamide IUPAC Name: N-[2-(1-butyl-4,5-diphenylimidazol-2-yl)sulfanylethyl]-4-fluorobenzenesulfonamide Traditional Name: N-[2-[(1-butyl-4,5-diphenyl-imidazol-2-yl)thio]ethyl]-4-fluoro-benzenesulfonamide Formula: C27H28FN3O2S2 MolecularWeight: 509.658523

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(N=C1SCCNS(=O)(=O)C2=CC=C(C=C2)F)C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CCCCN1C(=C(N=C1SCCNS(=O)(=O)C2=CC=C(C=C2)F)C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C27H28FN3O2S2/c1-2-3-19-31-26(22-12-8-5-9-13-22)25(21-10-6-4-7-11-21)30-27(31)34-20-18-29-35(32,33)24-16-14-23(28)15-17-24/h4-17,29H,2-3,18-20H2,1H3