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

Systemtic Name: [3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl 3-piperidin-1-ylsulfonylbenzoate Openeye Name: [3-(p-tolyl)-1,2,4-oxadiazol-5-yl]methyl 3-(1-piperidylsulfonyl)benzoate CAS Name: 3-(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 3-piperidin-1-ylsulfonylbenzoate Traditional Name: 3-piperidinosulfonylbenzoic acid [3-(p-tolyl)-1,2,4-oxadiazol-5-yl]methyl ester Formula: C22H23N3O5S MolecularWeight: 441.50012

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23N3O5S/c1-16-8-10-17(11-9-16)21-23-20(30-24-21)15-29-22(26)18-6-5-7-19(14-18)31(27,28)25-12-3-2-4-13-25/h5-11,14H,2-4,12-13,15H2,1H3