4-[4-[(6-chloranyl-1H-benzimidazol-2-yl)sulfanyl]-3-nitro-phenyl]sulfonylmorpholine

Systemtic Name: 4-[4-[(6-chloranyl-1H-benzimidazol-2-yl)sulfanyl]-3-nitro-phenyl]sulfonylmorpholine Openeye Name: 4-[4-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-3-nitro-phenyl]sulfonylmorpholine CAS Name: 4-[4-[(6-chloro-1H-benzimidazol-2-yl)thio]-3-nitrophenyl]sulfonylmorpholine IUPAC Name: 4-[4-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-3-nitrophenyl]sulfonylmorpholine Traditional Name: 4-[4-[(6-chloro-1H-benzimidazol-2-yl)thio]-3-nitro-phenyl]sulfonylmorpholine Formula: C17H15ClN4O5S2 MolecularWeight: 454.9078

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=CC(=C(C=C2)SC3=NC4=C(N3)C=C(C=C4)Cl)[N+](=O)[O-]

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=CC(=C(C=C2)SC3=NC4=C(N3)C=C(C=C4)Cl)[N+](=O)[O-]

InChI

InChI=1S/C17H15ClN4O5S2/c18-11-1-3-13-14(9-11)20-17(19-13)28-16-4-2-12(10-15(16)22(23)24)29(25,26)21-5-7-27-8-6-21/h1-4,9-10H,5-8H2,(H,19,20)