N-[4-[[2-[(3-nitrophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]sulfonyl]phenyl]ethanamide

Systemtic Name: N-[4-[[2-[(3-nitrophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]sulfonyl]phenyl]ethanamide Openeye Name: N-[4-[[2-[(3-nitrophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]sulfonyl]phenyl]acetamide CAS Name: N-[4-[[2-[(3-nitrophenyl)methylthio]-4,5-dihydroimidazol-1-yl]sulfonyl]phenyl]acetamide IUPAC Name: N-[4-[[2-[(3-nitrophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]sulfonyl]phenyl]acetamide Traditional Name: N-[4-[[2-[(3-nitrobenzyl)thio]-2-imidazolin-1-yl]sulfonyl]phenyl]acetamide Formula: C18H18N4O5S2 MolecularWeight: 434.48932

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCN=C2SCC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCN=C2SCC3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H18N4O5S2/c1-13(23)20-15-5-7-17(8-6-15)29(26,27)21-10-9-19-18(21)28-12-14-3-2-4-16(11-14)22(24)25/h2-8,11H,9-10,12H2,1H3,(H,20,23)