methyl 2-[4-(5-fluoranylbenzimidazol-1-yl)piperidin-1-yl]sulfonylbenzoate

Systemtic Name: methyl 2-[4-(5-fluoranylbenzimidazol-1-yl)piperidin-1-yl]sulfonylbenzoate Openeye Name: methyl 2-[[4-(5-fluorobenzimidazol-1-yl)-1-piperidyl]sulfonyl]benzoate CAS Name: 2-[[4-(5-fluoro-1-benzimidazolyl)-1-piperidinyl]sulfonyl]benzoic acid methyl ester IUPAC Name: methyl 2-[4-(5-fluorobenzimidazol-1-yl)piperidin-1-yl]sulfonylbenzoate Traditional Name: 2-[4-(5-fluorobenzimidazol-1-yl)piperidino]sulfonylbenzoic acid methyl ester Formula: C20H20FN3O4S MolecularWeight: 417.453903

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1S(=O)(=O)N2CCC(CC2)N3C=NC4=C3C=CC(=C4)F

Isomeric SMILES

COC(=O)C1=CC=CC=C1S(=O)(=O)N2CCC(CC2)N3C=NC4=C3C=CC(=C4)F

InChI

InChI=1S/C20H20FN3O4S/c1-28-20(25)16-4-2-3-5-19(16)29(26,27)23-10-8-15(9-11-23)24-13-22-17-12-14(21)6-7-18(17)24/h2-7,12-13,15H,8-11H2,1H3