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

Systemtic Name: N-[3-(1-butyl-4,5-diphenyl-imidazol-2-yl)sulfanylpropyl]-4-nitro-benzenesulfonamide Openeye Name: N-[3-(1-butyl-4,5-diphenyl-imidazol-2-yl)sulfanylpropyl]-4-nitro-benzenesulfonamide CAS Name: N-[3-[(1-butyl-4,5-diphenyl-2-imidazolyl)thio]propyl]-4-nitrobenzenesulfonamide IUPAC Name: N-[3-(1-butyl-4,5-diphenylimidazol-2-yl)sulfanylpropyl]-4-nitrobenzenesulfonamide Traditional Name: N-[3-[(1-butyl-4,5-diphenyl-imidazol-2-yl)thio]propyl]-4-nitro-benzenesulfonamide Formula: C28H30N4O4S2 MolecularWeight: 550.6922

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(N=C1SCCCNS(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-])C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CCCCN1C(=C(N=C1SCCCNS(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-])C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C28H30N4O4S2/c1-2-3-20-31-27(23-13-8-5-9-14-23)26(22-11-6-4-7-12-22)30-28(31)37-21-10-19-29-38(35,36)25-17-15-24(16-18-25)32(33)34/h4-9,11-18,29H,2-3,10,19-21H2,1H3