2-[(3,5-dimethyl-4-nitro-pyridin-2-yl)methylsulfonyl]-6-methoxy-1H-benzimidazole

Systemtic Name: 2-[(3,5-dimethyl-4-nitro-pyridin-2-yl)methylsulfonyl]-6-methoxy-1H-benzimidazole Openeye Name: 2-[(3,5-dimethyl-4-nitro-2-pyridyl)methylsulfonyl]-6-methoxy-1H-benzimidazole CAS Name: 2-[(3,5-dimethyl-4-nitro-2-pyridinyl)methylsulfonyl]-6-methoxy-1H-benzimidazole IUPAC Name: 2-[(3,5-dimethyl-4-nitropyridin-2-yl)methylsulfonyl]-6-methoxy-1H-benzimidazole Traditional Name: 2-[(3,5-dimethyl-4-nitro-2-pyridyl)methylsulfonyl]-6-methoxy-1H-benzimidazole Formula: C16H16N4O5S MolecularWeight: 376.38704

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(C(=C1[N+](=O)[O-])C)CS(=O)(=O)C2=NC3=C(N2)C=C(C=C3)OC

Isomeric SMILES

CC1=CN=C(C(=C1[N+](=O)[O-])C)CS(=O)(=O)C2=NC3=C(N2)C=C(C=C3)OC

InChI

InChI=1S/C16H16N4O5S/c1-9-7-17-14(10(2)15(9)20(21)22)8-26(23,24)16-18-12-5-4-11(25-3)6-13(12)19-16/h4-7H,8H2,1-3H3,(H,18,19)