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

Systemtic Name: [3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl 4-methyl-3-piperidin-1-ylsulfonyl-benzoate Openeye Name: [3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl 4-methyl-3-(1-piperidylsulfonyl)benzoate CAS Name: 4-methyl-3-(1-piperidinylsulfonyl)benzoic acid [3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl ester IUPAC Name: [3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl 4-methyl-3-piperidin-1-ylsulfonylbenzoate Traditional Name: 4-methyl-3-piperidinosulfonyl-benzoic acid [3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl ester Formula: C22H22ClN3O5S MolecularWeight: 475.94518

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OCC2=NC(=NO2)C3=CC=C(C=C3)Cl)S(=O)(=O)N4CCCCC4

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OCC2=NC(=NO2)C3=CC=C(C=C3)Cl)S(=O)(=O)N4CCCCC4

InChI

InChI=1S/C22H22ClN3O5S/c1-15-5-6-17(13-19(15)32(28,29)26-11-3-2-4-12-26)22(27)30-14-20-24-21(25-31-20)16-7-9-18(23)10-8-16/h5-10,13H,2-4,11-12,14H2,1H3