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

Systemtic Name: N-[3-(4,5-diphenyl-1-propyl-imidazol-2-yl)sulfanylpropyl]-4-nitro-benzenesulfonamide Openeye Name: N-[3-(4,5-diphenyl-1-propyl-imidazol-2-yl)sulfanylpropyl]-4-nitro-benzenesulfonamide CAS Name: N-[3-[(4,5-diphenyl-1-propyl-2-imidazolyl)thio]propyl]-4-nitrobenzenesulfonamide IUPAC Name: N-[3-(4,5-diphenyl-1-propylimidazol-2-yl)sulfanylpropyl]-4-nitrobenzenesulfonamide Traditional Name: N-[3-[(4,5-diphenyl-1-propyl-imidazol-2-yl)thio]propyl]-4-nitro-benzenesulfonamide Formula: C27H28N4O4S2 MolecularWeight: 536.66562

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=C(N=C1SCCCNS(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-])C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CCCN1C(=C(N=C1SCCCNS(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-])C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C27H28N4O4S2/c1-2-19-30-26(22-12-7-4-8-13-22)25(21-10-5-3-6-11-21)29-27(30)36-20-9-18-28-37(34,35)24-16-14-23(15-17-24)31(32)33/h3-8,10-17,28H,2,9,18-20H2,1H3