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

Systemtic Name: 4-[1-ethyl-2-[(3-methyl-4-nitro-phenoxy)methyl]benzimidazol-5-yl]sulfonylmorpholine Openeye Name: 4-[1-ethyl-2-[(3-methyl-4-nitro-phenoxy)methyl]benzimidazol-5-yl]sulfonylmorpholine CAS Name: 4-[[1-ethyl-2-[(3-methyl-4-nitrophenoxy)methyl]-5-benzimidazolyl]sulfonyl]morpholine IUPAC Name: 4-[1-ethyl-2-[(3-methyl-4-nitrophenoxy)methyl]benzimidazol-5-yl]sulfonylmorpholine Traditional Name: 4-[1-ethyl-2-[(3-methyl-4-nitro-phenoxy)methyl]benzimidazol-5-yl]sulfonylmorpholine Formula: C21H24N4O6S MolecularWeight: 460.50346

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)N=C1COC4=CC(=C(C=C4)[N+](=O)[O-])C

Isomeric SMILES

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)N=C1COC4=CC(=C(C=C4)[N+](=O)[O-])C

InChI

InChI=1S/C21H24N4O6S/c1-3-24-20-7-5-17(32(28,29)23-8-10-30-11-9-23)13-18(20)22-21(24)14-31-16-4-6-19(25(26)27)15(2)12-16/h4-7,12-13H,3,8-11,14H2,1-2H3