1-[3-(4-methylphenyl)sulfonyl-2-phenyl-imidazolidin-1-yl]-2-[(6-nitro-1H-benzimidazol-2-yl)sulfanyl]ethanone

Systemtic Name: 1-[3-(4-methylphenyl)sulfonyl-2-phenyl-imidazolidin-1-yl]-2-[(6-nitro-1H-benzimidazol-2-yl)sulfanyl]ethanone Openeye Name: 2-[(6-nitro-1H-benzimidazol-2-yl)sulfanyl]-1-[2-phenyl-3-(p-tolylsulfonyl)imidazolidin-1-yl]ethanone CAS Name: 1-[3-(4-methylphenyl)sulfonyl-2-phenyl-1-imidazolidinyl]-2-[(6-nitro-1H-benzimidazol-2-yl)thio]ethanone IUPAC Name: 1-[3-(4-methylphenyl)sulfonyl-2-phenylimidazolidin-1-yl]-2-[(6-nitro-1H-benzimidazol-2-yl)sulfanyl]ethanone Traditional Name: 2-[(6-nitro-1H-benzimidazol-2-yl)thio]-1-(2-phenyl-3-tosyl-imidazolidin-1-yl)ethanone Formula: C25H23N5O5S2 MolecularWeight: 537.61062

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(C2C3=CC=CC=C3)C(=O)CSC4=NC5=C(N4)C=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(C2C3=CC=CC=C3)C(=O)CSC4=NC5=C(N4)C=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C25H23N5O5S2/c1-17-7-10-20(11-8-17)37(34,35)29-14-13-28(24(29)18-5-3-2-4-6-18)23(31)16-36-25-26-21-12-9-19(30(32)33)15-22(21)27-25/h2-12,15,24H,13-14,16H2,1H3,(H,26,27)