[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methyl 4-fluoranyl-3-piperidin-1-ylsulfonyl-benzoate

Systemtic Name: [2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methyl 4-fluoranyl-3-piperidin-1-ylsulfonyl-benzoate Openeye Name: [2-(2-methoxyphenyl)thiazol-4-yl]methyl 4-fluoro-3-(1-piperidylsulfonyl)benzoate CAS Name: 4-fluoro-3-(1-piperidinylsulfonyl)benzoic acid [2-(2-methoxyphenyl)-4-thiazolyl]methyl ester IUPAC Name: [2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methyl 4-fluoro-3-piperidin-1-ylsulfonylbenzoate Traditional Name: 4-fluoro-3-piperidinosulfonyl-benzoic acid [2-(2-methoxyphenyl)thiazol-4-yl]methyl ester Formula: C23H23FN2O5S2 MolecularWeight: 490.567523

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C2=NC(=CS2)COC(=O)C3=CC(=C(C=C3)F)S(=O)(=O)N4CCCCC4

Isomeric SMILES

COC1=CC=CC=C1C2=NC(=CS2)COC(=O)C3=CC(=C(C=C3)F)S(=O)(=O)N4CCCCC4

InChI

InChI=1S/C23H23FN2O5S2/c1-30-20-8-4-3-7-18(20)22-25-17(15-32-22)14-31-23(27)16-9-10-19(24)21(13-16)33(28,29)26-11-5-2-6-12-26/h3-4,7-10,13,15H,2,5-6,11-12,14H2,1H3