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

Systemtic Name: ethyl 4-[4-(5-fluoranylbenzimidazol-1-yl)piperidin-1-yl]sulfonylbenzoate Openeye Name: ethyl 4-[[4-(5-fluorobenzimidazol-1-yl)-1-piperidyl]sulfonyl]benzoate CAS Name: 4-[[4-(5-fluoro-1-benzimidazolyl)-1-piperidinyl]sulfonyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[4-(5-fluorobenzimidazol-1-yl)piperidin-1-yl]sulfonylbenzoate Traditional Name: 4-[4-(5-fluorobenzimidazol-1-yl)piperidino]sulfonylbenzoic acid ethyl ester Formula: C21H22FN3O4S MolecularWeight: 431.480483

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22FN3O4S/c1-2-29-21(26)15-3-6-18(7-4-15)30(27,28)24-11-9-17(10-12-24)25-14-23-19-13-16(22)5-8-20(19)25/h3-8,13-14,17H,2,9-12H2,1H3