4-[2-[(2-chloranyl-4-nitro-phenoxy)methyl]-1-propyl-benzimidazol-5-yl]sulfonylmorpholine

Systemtic Name: 4-[2-[(2-chloranyl-4-nitro-phenoxy)methyl]-1-propyl-benzimidazol-5-yl]sulfonylmorpholine Openeye Name: 4-[2-[(2-chloro-4-nitro-phenoxy)methyl]-1-propyl-benzimidazol-5-yl]sulfonylmorpholine CAS Name: 4-[[2-[(2-chloro-4-nitrophenoxy)methyl]-1-propyl-5-benzimidazolyl]sulfonyl]morpholine IUPAC Name: 4-[2-[(2-chloro-4-nitrophenoxy)methyl]-1-propylbenzimidazol-5-yl]sulfonylmorpholine Traditional Name: 4-[2-[(2-chloro-4-nitro-phenoxy)methyl]-1-propyl-benzimidazol-5-yl]sulfonylmorpholine Formula: C21H23ClN4O6S MolecularWeight: 494.94852

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)N=C1COC4=C(C=C(C=C4)[N+](=O)[O-])Cl

Isomeric SMILES

CCCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)N=C1COC4=C(C=C(C=C4)[N+](=O)[O-])Cl

InChI

InChI=1S/C21H23ClN4O6S/c1-2-7-25-19-5-4-16(33(29,30)24-8-10-31-11-9-24)13-18(19)23-21(25)14-32-20-6-3-15(26(27)28)12-17(20)22/h3-6,12-13H,2,7-11,14H2,1H3