2-[2-[2-(4-chloranyl-3-nitro-phenyl)-1-methylsulfonyl-ethenyl]benzimidazol-1-yl]ethanoate

Systemtic Name: 2-[2-[2-(4-chloranyl-3-nitro-phenyl)-1-methylsulfonyl-ethenyl]benzimidazol-1-yl]ethanoate Openeye Name: 2-[2-[2-(4-chloro-3-nitro-phenyl)-1-methylsulfonyl-vinyl]benzimidazol-1-yl]acetate CAS Name: 2-[2-[2-(4-chloro-3-nitrophenyl)-1-methylsulfonylethenyl]-1-benzimidazolyl]acetate IUPAC Name: 2-[2-[2-(4-chloro-3-nitrophenyl)-1-methylsulfonylethenyl]benzimidazol-1-yl]acetate Traditional Name: 2-[2-[2-(4-chloro-3-nitro-phenyl)-1-mesyl-vinyl]benzimidazol-1-yl]acetate Formula: C18H13ClN3O6S- MolecularWeight: 434.83032

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C(=CC1=CC(=C(C=C1)Cl)[N+](=O)[O-])C2=NC3=CC=CC=C3N2CC(=O)[O-]

Isomeric SMILES

CS(=O)(=O)C(=CC1=CC(=C(C=C1)Cl)[N+](=O)[O-])C2=NC3=CC=CC=C3N2CC(=O)[O-]

InChI

InChI=1S/C18H14ClN3O6S/c1-29(27,28)16(9-11-6-7-12(19)15(8-11)22(25)26)18-20-13-4-2-3-5-14(13)21(18)10-17(23)24/h2-9H,10H2,1H3,(H,23,24)/p-1