2-[1-(3-bromanyl-4-methoxy-phenyl)sulfonylpiperidin-4-yl]-1H-benzimidazole

Systemtic Name: 2-[1-(3-bromanyl-4-methoxy-phenyl)sulfonylpiperidin-4-yl]-1H-benzimidazole Openeye Name: 2-[1-(3-bromo-4-methoxy-phenyl)sulfonyl-4-piperidyl]-1H-benzimidazole CAS Name: 2-[1-(3-bromo-4-methoxyphenyl)sulfonyl-4-piperidinyl]-1H-benzimidazole IUPAC Name: 2-[1-(3-bromo-4-methoxyphenyl)sulfonylpiperidin-4-yl]-1H-benzimidazole Traditional Name: 2-[1-(3-bromo-4-methoxy-phenyl)sulfonyl-4-piperidyl]-1H-benzimidazole Formula: C19H20BrN3O3S MolecularWeight: 450.3494

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCC(CC2)C3=NC4=CC=CC=C4N3)Br

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCC(CC2)C3=NC4=CC=CC=C4N3)Br

InChI

InChI=1S/C19H20BrN3O3S/c1-26-18-7-6-14(12-15(18)20)27(24,25)23-10-8-13(9-11-23)19-21-16-4-2-3-5-17(16)22-19/h2-7,12-13H,8-11H2,1H3,(H,21,22)