(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-chloranyl-5-piperidin-1-ylsulfonyl-benzoate

Systemtic Name: (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-chloranyl-5-piperidin-1-ylsulfonyl-benzoate Openeye Name: (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-chloro-5-(1-piperidylsulfonyl)benzoate CAS Name: 2-chloro-5-(1-piperidinylsulfonyl)benzoic acid (5-phenyl-1,3,4-oxadiazol-2-yl)methyl ester IUPAC Name: (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-chloro-5-piperidin-1-ylsulfonylbenzoate Traditional Name: 2-chloro-5-piperidinosulfonyl-benzoic acid (5-phenyl-1,3,4-oxadiazol-2-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(=C(C=C2)Cl)C(=O)OCC3=NN=C(O3)C4=CC=CC=C4

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)OCC3=NN=C(O3)C4=CC=CC=C4

InChI

InChI=1S/C21H20ClN3O5S/c22-18-10-9-16(31(27,28)25-11-5-2-6-12-25)13-17(18)21(26)29-14-19-23-24-20(30-19)15-7-3-1-4-8-15/h1,3-4,7-10,13H,2,5-6,11-12,14H2