4-[4-(1-cyclopropyl-5-phenyl-imidazol-2-yl)sulfanyl-3-nitro-phenyl]sulfonylmorpholine

Systemtic Name: 4-[4-(1-cyclopropyl-5-phenyl-imidazol-2-yl)sulfanyl-3-nitro-phenyl]sulfonylmorpholine Openeye Name: 4-[4-(1-cyclopropyl-5-phenyl-imidazol-2-yl)sulfanyl-3-nitro-phenyl]sulfonylmorpholine CAS Name: 4-[4-[(1-cyclopropyl-5-phenyl-2-imidazolyl)thio]-3-nitrophenyl]sulfonylmorpholine IUPAC Name: 4-[4-(1-cyclopropyl-5-phenylimidazol-2-yl)sulfanyl-3-nitrophenyl]sulfonylmorpholine Traditional Name: 4-[4-[(1-cyclopropyl-5-phenyl-imidazol-2-yl)thio]-3-nitro-phenyl]sulfonylmorpholine Formula: C22H22N4O5S2 MolecularWeight: 486.56388

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C(=CN=C2SC3=C(C=C(C=C3)S(=O)(=O)N4CCOCC4)[N+](=O)[O-])C5=CC=CC=C5

Isomeric SMILES

C1CC1N2C(=CN=C2SC3=C(C=C(C=C3)S(=O)(=O)N4CCOCC4)[N+](=O)[O-])C5=CC=CC=C5

InChI

InChI=1S/C22H22N4O5S2/c27-26(28)19-14-18(33(29,30)24-10-12-31-13-11-24)8-9-21(19)32-22-23-15-20(25(22)17-6-7-17)16-4-2-1-3-5-16/h1-5,8-9,14-15,17H,6-7,10-13H2