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

Systemtic Name: [3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl 4-methyl-3-piperidin-1-ylsulfonyl-benzoate Openeye Name: [3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl 4-methyl-3-(1-piperidylsulfonyl)benzoate CAS Name: 4-methyl-3-(1-piperidinylsulfonyl)benzoic acid [3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl ester IUPAC Name: [3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl 4-methyl-3-piperidin-1-ylsulfonylbenzoate Traditional Name: 4-methyl-3-piperidinosulfonyl-benzoic acid [3-(3-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(=CC=C3)Cl)S(=O)(=O)N4CCCCC4

Isomeric SMILES

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

InChI

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