(4-morpholin-4-ylsulfonylphenyl)-[2-[(3-nitrophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]methanone

Systemtic Name: (4-morpholin-4-ylsulfonylphenyl)-[2-[(3-nitrophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]methanone Openeye Name: (4-morpholinosulfonylphenyl)-[2-[(3-nitrophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]methanone CAS Name: [4-(4-morpholinylsulfonyl)phenyl]-[2-[(3-nitrophenyl)methylthio]-4,5-dihydroimidazol-1-yl]methanone IUPAC Name: (4-morpholin-4-ylsulfonylphenyl)-[2-[(3-nitrophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]methanone Traditional Name: (4-morpholinosulfonylphenyl)-[2-[(3-nitrobenzyl)thio]-2-imidazolin-1-yl]methanone Formula: C21H22N4O6S2 MolecularWeight: 490.55258

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(=N1)SCC2=CC(=CC=C2)[N+](=O)[O-])C(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCOCC4

Isomeric SMILES

C1CN(C(=N1)SCC2=CC(=CC=C2)[N+](=O)[O-])C(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCOCC4

InChI

InChI=1S/C21H22N4O6S2/c26-20(17-4-6-19(7-5-17)33(29,30)23-10-12-31-13-11-23)24-9-8-22-21(24)32-15-16-2-1-3-18(14-16)25(27)28/h1-7,14H,8-13,15H2