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

Systemtic Name: N-[2-(4,5-diphenyl-1-propan-2-yl-imidazol-2-yl)sulfanylethyl]-4-nitro-benzenesulfonamide Openeye Name: N-[2-(1-isopropyl-4,5-diphenyl-imidazol-2-yl)sulfanylethyl]-4-nitro-benzenesulfonamide CAS Name: N-[2-[(4,5-diphenyl-1-propan-2-yl-2-imidazolyl)thio]ethyl]-4-nitrobenzenesulfonamide IUPAC Name: N-[2-(4,5-diphenyl-1-propan-2-ylimidazol-2-yl)sulfanylethyl]-4-nitrobenzenesulfonamide Traditional Name: N-[2-[(1-isopropyl-4,5-diphenyl-imidazol-2-yl)thio]ethyl]-4-nitro-benzenesulfonamide Formula: C26H26N4O4S2 MolecularWeight: 522.63904

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=C(N=C1SCCNS(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-])C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC(C)N1C(=C(N=C1SCCNS(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-])C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C26H26N4O4S2/c1-19(2)29-25(21-11-7-4-8-12-21)24(20-9-5-3-6-10-20)28-26(29)35-18-17-27-36(33,34)23-15-13-22(14-16-23)30(31)32/h3-16,19,27H,17-18H2,1-2H3