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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(N=C1SCCCCNS(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-])C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CCN1C(=C(N=C1SCCCCNS(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-])C3=CC=CC=C3)C4=CC=CC=C4

InChI

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