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

Systemtic Name: N-[3-(1-butyl-4,5-diphenyl-imidazol-2-yl)sulfanylpropyl]-4-methyl-benzenesulfonamide Openeye Name: N-[3-(1-butyl-4,5-diphenyl-imidazol-2-yl)sulfanylpropyl]-4-methyl-benzenesulfonamide CAS Name: N-[3-[(1-butyl-4,5-diphenyl-2-imidazolyl)thio]propyl]-4-methylbenzenesulfonamide IUPAC Name: N-[3-(1-butyl-4,5-diphenylimidazol-2-yl)sulfanylpropyl]-4-methylbenzenesulfonamide Traditional Name: N-[3-[(1-butyl-4,5-diphenyl-imidazol-2-yl)thio]propyl]-4-methyl-benzenesulfonamide Formula: C29H33N3O2S2 MolecularWeight: 519.72122

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H33N3O2S2/c1-3-4-21-32-28(25-14-9-6-10-15-25)27(24-12-7-5-8-13-24)31-29(32)35-22-11-20-30-36(33,34)26-18-16-23(2)17-19-26/h5-10,12-19,30H,3-4,11,20-22H2,1-2H3