[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 4-chloranyl-3-piperidin-1-ylsulfonyl-benzoate

Systemtic Name: [3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 4-chloranyl-3-piperidin-1-ylsulfonyl-benzoate Openeye Name: [3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 4-chloro-3-(1-piperidylsulfonyl)benzoate CAS Name: 4-chloro-3-(1-piperidinylsulfonyl)benzoic acid [3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl ester IUPAC Name: [3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 4-chloro-3-piperidin-1-ylsulfonylbenzoate Traditional Name: 4-chloro-3-piperidinosulfonyl-benzoic acid [3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl ester Formula: C22H22ClN3O6S MolecularWeight: 491.94458

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2=NOC(=N2)COC(=O)C3=CC(=C(C=C3)Cl)S(=O)(=O)N4CCCCC4

Isomeric SMILES

COC1=CC=CC(=C1)C2=NOC(=N2)COC(=O)C3=CC(=C(C=C3)Cl)S(=O)(=O)N4CCCCC4

InChI

InChI=1S/C22H22ClN3O6S/c1-30-17-7-5-6-15(12-17)21-24-20(32-25-21)14-31-22(27)16-8-9-18(23)19(13-16)33(28,29)26-10-3-2-4-11-26/h5-9,12-13H,2-4,10-11,14H2,1H3