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

Systemtic Name: (3-phenyl-1,2-oxazol-5-yl)methyl 4-chloranyl-3-piperidin-1-ylsulfonyl-benzoate Openeye Name: (3-phenylisoxazol-5-yl)methyl 4-chloro-3-(1-piperidylsulfonyl)benzoate CAS Name: 4-chloro-3-(1-piperidinylsulfonyl)benzoic acid (3-phenyl-5-isoxazolyl)methyl ester IUPAC Name: (3-phenyl-1,2-oxazol-5-yl)methyl 4-chloro-3-piperidin-1-ylsulfonylbenzoate Traditional Name: 4-chloro-3-piperidinosulfonyl-benzoic acid (3-phenylisoxazol-5-yl)methyl ester Formula: C22H21ClN2O5S MolecularWeight: 460.93054

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21ClN2O5S/c23-19-10-9-17(13-21(19)31(27,28)25-11-5-2-6-12-25)22(26)29-15-18-14-20(24-30-18)16-7-3-1-4-8-16/h1,3-4,7-10,13-14H,2,5-6,11-12,15H2