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

Systemtic Name: methyl 4-[4-(5-fluoranylbenzimidazol-1-yl)piperidin-1-yl]sulfonylbenzoate Openeye Name: methyl 4-[[4-(5-fluorobenzimidazol-1-yl)-1-piperidyl]sulfonyl]benzoate CAS Name: 4-[[4-(5-fluoro-1-benzimidazolyl)-1-piperidinyl]sulfonyl]benzoic acid methyl ester IUPAC Name: methyl 4-[4-(5-fluorobenzimidazol-1-yl)piperidin-1-yl]sulfonylbenzoate Traditional Name: 4-[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=C(C=C1)S(=O)(=O)N2CCC(CC2)N3C=NC4=C3C=CC(=C4)F

Isomeric SMILES

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

InChI

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