2-[(E)-2-(4-chloranyl-3-nitro-phenyl)-1-(phenylsulfonyl)ethenyl]-1H-benzimidazole

Systemtic Name: 2-[(E)-2-(4-chloranyl-3-nitro-phenyl)-1-(phenylsulfonyl)ethenyl]-1H-benzimidazole Openeye Name: 2-[(E)-1-(benzenesulfonyl)-2-(4-chloro-3-nitro-phenyl)vinyl]-1H-benzimidazole CAS Name: 2-[(E)-1-(benzenesulfonyl)-2-(4-chloro-3-nitrophenyl)ethenyl]-1H-benzimidazole IUPAC Name: 2-[(E)-1-(benzenesulfonyl)-2-(4-chloro-3-nitrophenyl)ethenyl]-1H-benzimidazole Traditional Name: 2-[(E)-1-besyl-2-(4-chloro-3-nitro-phenyl)vinyl]-1H-benzimidazole Formula: C21H14ClN3O4S MolecularWeight: 439.87156

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)S(=O)(=O)C(=CC2=CC(=C(C=C2)Cl)[N+](=O)[O-])C3=NC4=CC=CC=C4N3

Isomeric SMILES

C1=CC=C(C=C1)S(=O)(=O)/C(=C/C2=CC(=C(C=C2)Cl)[N+](=O)[O-])/C3=NC4=CC=CC=C4N3

InChI

InChI=1S/C21H14ClN3O4S/c22-16-11-10-14(12-19(16)25(26)27)13-20(30(28,29)15-6-2-1-3-7-15)21-23-17-8-4-5-9-18(17)24-21/h1-13H,(H,23,24)/b20-13+