N,N-diethyl-4-[[2-[(3-nitrophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]carbonyl]benzenesulfonamide

Systemtic Name: N,N-diethyl-4-[[2-[(3-nitrophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]carbonyl]benzenesulfonamide Openeye Name: N,N-diethyl-4-[2-[(3-nitrophenyl)methylsulfanyl]-4,5-dihydroimidazole-1-carbonyl]benzenesulfonamide CAS Name: N,N-diethyl-4-[[2-[(3-nitrophenyl)methylthio]-4,5-dihydroimidazol-1-yl]-oxomethyl]benzenesulfonamide IUPAC Name: N,N-diethyl-4-[2-[(3-nitrophenyl)methylsulfanyl]-4,5-dihydroimidazole-1-carbonyl]benzenesulfonamide Traditional Name: N,N-diethyl-4-[2-[(3-nitrobenzyl)thio]-2-imidazoline-1-carbonyl]benzenesulfonamide Formula: C21H24N4O5S2 MolecularWeight: 476.56906

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC=C(C=C1)C(=O)N2CCN=C2SCC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC=C(C=C1)C(=O)N2CCN=C2SCC3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H24N4O5S2/c1-3-23(4-2)32(29,30)19-10-8-17(9-11-19)20(26)24-13-12-22-21(24)31-15-16-6-5-7-18(14-16)25(27)28/h5-11,14H,3-4,12-13,15H2,1-2H3