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

Systemtic Name: [3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-methyl-5-piperidin-1-ylsulfonyl-benzoate Openeye Name: [3-(p-tolyl)-1,2,4-oxadiazol-5-yl]methyl 2-methyl-5-(1-piperidylsulfonyl)benzoate CAS Name: 2-methyl-5-(1-piperidinylsulfonyl)benzoic acid [3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl ester IUPAC Name: [3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-methyl-5-piperidin-1-ylsulfonylbenzoate Traditional Name: 2-methyl-5-piperidinosulfonyl-benzoic acid [3-(p-tolyl)-1,2,4-oxadiazol-5-yl]methyl ester Formula: C23H25N3O5S MolecularWeight: 455.5267

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NOC(=N2)COC(=O)C3=C(C=CC(=C3)S(=O)(=O)N4CCCCC4)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=NOC(=N2)COC(=O)C3=C(C=CC(=C3)S(=O)(=O)N4CCCCC4)C

InChI

InChI=1S/C23H25N3O5S/c1-16-6-9-18(10-7-16)22-24-21(31-25-22)15-30-23(27)20-14-19(11-8-17(20)2)32(28,29)26-12-4-3-5-13-26/h6-11,14H,3-5,12-13,15H2,1-2H3