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

Systemtic Name: N-[2-(1-butyl-4,5-diphenyl-imidazol-2-yl)sulfanylethyl]-4-nitro-benzenesulfonamide Openeye Name: N-[2-(1-butyl-4,5-diphenyl-imidazol-2-yl)sulfanylethyl]-4-nitro-benzenesulfonamide CAS Name: N-[2-[(1-butyl-4,5-diphenyl-2-imidazolyl)thio]ethyl]-4-nitrobenzenesulfonamide IUPAC Name: N-[2-(1-butyl-4,5-diphenylimidazol-2-yl)sulfanylethyl]-4-nitrobenzenesulfonamide Traditional Name: N-[2-[(1-butyl-4,5-diphenyl-imidazol-2-yl)thio]ethyl]-4-nitro-benzenesulfonamide Formula: C27H28N4O4S2 MolecularWeight: 536.66562

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(N=C1SCCNS(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-])C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CCCCN1C(=C(N=C1SCCNS(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-])C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C27H28N4O4S2/c1-2-3-19-30-26(22-12-8-5-9-13-22)25(21-10-6-4-7-11-21)29-27(30)36-20-18-28-37(34,35)24-16-14-23(15-17-24)31(32)33/h4-17,28H,2-3,18-20H2,1H3