4-[1-ethyl-2-[(2-methoxy-5-nitro-phenyl)methylsulfanyl]benzimidazol-5-yl]sulfonylmorpholine

Systemtic Name: 4-[1-ethyl-2-[(2-methoxy-5-nitro-phenyl)methylsulfanyl]benzimidazol-5-yl]sulfonylmorpholine Openeye Name: 4-[1-ethyl-2-[(2-methoxy-5-nitro-phenyl)methylsulfanyl]benzimidazol-5-yl]sulfonylmorpholine CAS Name: 4-[[1-ethyl-2-[(2-methoxy-5-nitrophenyl)methylthio]-5-benzimidazolyl]sulfonyl]morpholine IUPAC Name: 4-[1-ethyl-2-[(2-methoxy-5-nitrophenyl)methylsulfanyl]benzimidazol-5-yl]sulfonylmorpholine Traditional Name: 4-[1-ethyl-2-[(2-methoxy-5-nitro-benzyl)thio]benzimidazol-5-yl]sulfonylmorpholine Formula: C21H24N4O6S2 MolecularWeight: 492.56846

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)N=C1SCC4=C(C=CC(=C4)[N+](=O)[O-])OC

Isomeric SMILES

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)N=C1SCC4=C(C=CC(=C4)[N+](=O)[O-])OC

InChI

InChI=1S/C21H24N4O6S2/c1-3-24-19-6-5-17(33(28,29)23-8-10-31-11-9-23)13-18(19)22-21(24)32-14-15-12-16(25(26)27)4-7-20(15)30-2/h4-7,12-13H,3,8-11,14H2,1-2H3