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

Systemtic Name: [3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl 2-piperidin-1-ylsulfonylbenzoate Openeye Name: [3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl 2-(1-piperidylsulfonyl)benzoate CAS Name: 2-(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 2-piperidin-1-ylsulfonylbenzoate Traditional Name: 2-piperidinosulfonylbenzoic acid [3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl ester Formula: C21H20ClN3O5S MolecularWeight: 461.9186

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC=CC=C2C(=O)OCC3=NC(=NO3)C4=CC=C(C=C4)Cl

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC=CC=C2C(=O)OCC3=NC(=NO3)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C21H20ClN3O5S/c22-16-10-8-15(9-11-16)20-23-19(30-24-20)14-29-21(26)17-6-2-3-7-18(17)31(27,28)25-12-4-1-5-13-25/h2-3,6-11H,1,4-5,12-14H2