6-methoxy-2-(2-nitro-4-piperidin-1-ylsulfonyl-phenyl)sulfanyl-1H-benzimidazole

Systemtic Name: 6-methoxy-2-(2-nitro-4-piperidin-1-ylsulfonyl-phenyl)sulfanyl-1H-benzimidazole Openeye Name: 6-methoxy-2-[2-nitro-4-(1-piperidylsulfonyl)phenyl]sulfanyl-1H-benzimidazole CAS Name: 6-methoxy-2-[[2-nitro-4-(1-piperidinylsulfonyl)phenyl]thio]-1H-benzimidazole IUPAC Name: 6-methoxy-2-(2-nitro-4-piperidin-1-ylsulfonylphenyl)sulfanyl-1H-benzimidazole Traditional Name: 6-methoxy-2-[(2-nitro-4-piperidinosulfonyl-phenyl)thio]-1H-benzimidazole Formula: C19H20N4O5S2 MolecularWeight: 448.5159

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N=C(N2)SC3=C(C=C(C=C3)S(=O)(=O)N4CCCCC4)[N+](=O)[O-]

Isomeric SMILES

COC1=CC2=C(C=C1)N=C(N2)SC3=C(C=C(C=C3)S(=O)(=O)N4CCCCC4)[N+](=O)[O-]

InChI

InChI=1S/C19H20N4O5S2/c1-28-13-5-7-15-16(11-13)21-19(20-15)29-18-8-6-14(12-17(18)23(24)25)30(26,27)22-9-3-2-4-10-22/h5-8,11-12H,2-4,9-10H2,1H3,(H,20,21)