4-[1-ethyl-2-[(2-methyl-3-nitro-phenyl)methylsulfanyl]benzimidazol-5-yl]sulfonylmorpholine

Systemtic Name: 4-[1-ethyl-2-[(2-methyl-3-nitro-phenyl)methylsulfanyl]benzimidazol-5-yl]sulfonylmorpholine Openeye Name: 4-[1-ethyl-2-[(2-methyl-3-nitro-phenyl)methylsulfanyl]benzimidazol-5-yl]sulfonylmorpholine CAS Name: 4-[[1-ethyl-2-[(2-methyl-3-nitrophenyl)methylthio]-5-benzimidazolyl]sulfonyl]morpholine IUPAC Name: 4-[1-ethyl-2-[(2-methyl-3-nitrophenyl)methylsulfanyl]benzimidazol-5-yl]sulfonylmorpholine Traditional Name: 4-[1-ethyl-2-[(2-methyl-3-nitro-benzyl)thio]benzimidazol-5-yl]sulfonylmorpholine Formula: C21H24N4O5S2 MolecularWeight: 476.56906

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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-])C

Isomeric SMILES

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

InChI

InChI=1S/C21H24N4O5S2/c1-3-24-20-8-7-17(32(28,29)23-9-11-30-12-10-23)13-18(20)22-21(24)31-14-16-5-4-6-19(15(16)2)25(26)27/h4-8,13H,3,9-12,14H2,1-2H3