4-[4-(1-methylbenzimidazol-2-yl)sulfanyl-3-nitro-phenyl]sulfonylmorpholine

Systemtic Name: 4-[4-(1-methylbenzimidazol-2-yl)sulfanyl-3-nitro-phenyl]sulfonylmorpholine Openeye Name: 4-[4-(1-methylbenzimidazol-2-yl)sulfanyl-3-nitro-phenyl]sulfonylmorpholine CAS Name: 4-[4-[(1-methyl-2-benzimidazolyl)thio]-3-nitrophenyl]sulfonylmorpholine IUPAC Name: 4-[4-(1-methylbenzimidazol-2-yl)sulfanyl-3-nitrophenyl]sulfonylmorpholine Traditional Name: 4-[4-[(1-methylbenzimidazol-2-yl)thio]-3-nitro-phenyl]sulfonylmorpholine Formula: C18H18N4O5S2 MolecularWeight: 434.48932

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2N=C1SC3=C(C=C(C=C3)S(=O)(=O)N4CCOCC4)[N+](=O)[O-]

Isomeric SMILES

CN1C2=CC=CC=C2N=C1SC3=C(C=C(C=C3)S(=O)(=O)N4CCOCC4)[N+](=O)[O-]

InChI

InChI=1S/C18H18N4O5S2/c1-20-15-5-3-2-4-14(15)19-18(20)28-17-7-6-13(12-16(17)22(23)24)29(25,26)21-8-10-27-11-9-21/h2-7,12H,8-11H2,1H3