methyl 3-[4-(5-fluoranylbenzimidazol-1-yl)piperidin-1-yl]sulfonylbenzoate

Systemtic Name: methyl 3-[4-(5-fluoranylbenzimidazol-1-yl)piperidin-1-yl]sulfonylbenzoate Openeye Name: methyl 3-[[4-(5-fluorobenzimidazol-1-yl)-1-piperidyl]sulfonyl]benzoate CAS Name: 3-[[4-(5-fluoro-1-benzimidazolyl)-1-piperidinyl]sulfonyl]benzoic acid methyl ester IUPAC Name: methyl 3-[4-(5-fluorobenzimidazol-1-yl)piperidin-1-yl]sulfonylbenzoate Traditional Name: 3-[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=C1)S(=O)(=O)N2CCC(CC2)N3C=NC4=C3C=CC(=C4)F

Isomeric SMILES

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

InChI

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