N-[3-(1-butyl-4,5-diphenyl-imidazol-2-yl)sulfanylpropyl]-4-chloranyl-benzenesulfonamide

Systemtic Name: N-[3-(1-butyl-4,5-diphenyl-imidazol-2-yl)sulfanylpropyl]-4-chloranyl-benzenesulfonamide Openeye Name: N-[3-(1-butyl-4,5-diphenyl-imidazol-2-yl)sulfanylpropyl]-4-chloro-benzenesulfonamide CAS Name: N-[3-[(1-butyl-4,5-diphenyl-2-imidazolyl)thio]propyl]-4-chlorobenzenesulfonamide IUPAC Name: N-[3-(1-butyl-4,5-diphenylimidazol-2-yl)sulfanylpropyl]-4-chlorobenzenesulfonamide Traditional Name: N-[3-[(1-butyl-4,5-diphenyl-imidazol-2-yl)thio]propyl]-4-chloro-benzenesulfonamide Formula: C28H30ClN3O2S2 MolecularWeight: 540.1397

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(N=C1SCCCNS(=O)(=O)C2=CC=C(C=C2)Cl)C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CCCCN1C(=C(N=C1SCCCNS(=O)(=O)C2=CC=C(C=C2)Cl)C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C28H30ClN3O2S2/c1-2-3-20-32-27(23-13-8-5-9-14-23)26(22-11-6-4-7-12-22)31-28(32)35-21-10-19-30-36(33,34)25-17-15-24(29)16-18-25/h4-9,11-18,30H,2-3,10,19-21H2,1H3