5,6-bis(chloranyl)-1-(2,4-dinitrophenyl)sulfonyl-2-(2-pyridin-2-ylethyl)benzimidazole

Systemtic Name: 5,6-bis(chloranyl)-1-(2,4-dinitrophenyl)sulfonyl-2-(2-pyridin-2-ylethyl)benzimidazole Openeye Name: 5,6-dichloro-1-(2,4-dinitrophenyl)sulfonyl-2-[2-(2-pyridyl)ethyl]benzimidazole CAS Name: 5,6-dichloro-1-(2,4-dinitrophenyl)sulfonyl-2-[2-(2-pyridinyl)ethyl]benzimidazole IUPAC Name: 5,6-dichloro-1-(2,4-dinitrophenyl)sulfonyl-2-(2-pyridin-2-ylethyl)benzimidazole Traditional Name: 5,6-dichloro-1-(2,4-dinitrophenyl)sulfonyl-2-[2-(2-pyridyl)ethyl]benzimidazole Formula: C20H13Cl2N5O6S MolecularWeight: 522.31812

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)CCC2=NC3=CC(=C(C=C3N2S(=O)(=O)C4=C(C=C(C=C4)[N+](=O)[O-])[N+](=O)[O-])Cl)Cl

Isomeric SMILES

C1=CC=NC(=C1)CCC2=NC3=CC(=C(C=C3N2S(=O)(=O)C4=C(C=C(C=C4)[N+](=O)[O-])[N+](=O)[O-])Cl)Cl

InChI

InChI=1S/C20H13Cl2N5O6S/c21-14-10-16-17(11-15(14)22)25(20(24-16)7-4-12-3-1-2-8-23-12)34(32,33)19-6-5-13(26(28)29)9-18(19)27(30)31/h1-3,5-6,8-11H,4,7H2