2-[1-(2-bromanyl-4,5-dimethoxy-phenyl)sulfonylpiperidin-4-yl]-1H-benzimidazole

Systemtic Name: 2-[1-(2-bromanyl-4,5-dimethoxy-phenyl)sulfonylpiperidin-4-yl]-1H-benzimidazole Openeye Name: 2-[1-(2-bromo-4,5-dimethoxy-phenyl)sulfonyl-4-piperidyl]-1H-benzimidazole CAS Name: 2-[1-(2-bromo-4,5-dimethoxyphenyl)sulfonyl-4-piperidinyl]-1H-benzimidazole IUPAC Name: 2-[1-(2-bromo-4,5-dimethoxyphenyl)sulfonylpiperidin-4-yl]-1H-benzimidazole Traditional Name: 2-[1-(2-bromo-4,5-dimethoxy-phenyl)sulfonyl-4-piperidyl]-1H-benzimidazole Formula: C20H22BrN3O4S MolecularWeight: 480.37538

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1OC)Br)S(=O)(=O)N2CCC(CC2)C3=NC4=CC=CC=C4N3

Isomeric SMILES

COC1=CC(=C(C=C1OC)Br)S(=O)(=O)N2CCC(CC2)C3=NC4=CC=CC=C4N3

InChI

InChI=1S/C20H22BrN3O4S/c1-27-17-11-14(21)19(12-18(17)28-2)29(25,26)24-9-7-13(8-10-24)20-22-15-5-3-4-6-16(15)23-20/h3-6,11-13H,7-10H2,1-2H3,(H,22,23)