ethyl 1-[5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methoxy-phenyl]sulfonylpiperidine-3-carboxylate

Systemtic Name: ethyl 1-[5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methoxy-phenyl]sulfonylpiperidine-3-carboxylate Openeye Name: ethyl 1-[5-(3,4-dimethylisoxazol-5-yl)-2-methoxy-phenyl]sulfonylpiperidine-3-carboxylate CAS Name: 1-[5-(3,4-dimethyl-5-isoxazolyl)-2-methoxyphenyl]sulfonyl-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methoxyphenyl]sulfonylpiperidine-3-carboxylate Traditional Name: 1-[5-(3,4-dimethylisoxazol-5-yl)-2-methoxy-phenyl]sulfonylnipecotic acid ethyl ester Formula: C20H26N2O6S MolecularWeight: 422.49524

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)S(=O)(=O)C2=C(C=CC(=C2)C3=C(C(=NO3)C)C)OC

Isomeric SMILES

CCOC(=O)C1CCCN(C1)S(=O)(=O)C2=C(C=CC(=C2)C3=C(C(=NO3)C)C)OC

InChI

InChI=1S/C20H26N2O6S/c1-5-27-20(23)16-7-6-10-22(12-16)29(24,25)18-11-15(8-9-17(18)26-4)19-13(2)14(3)21-28-19/h8-9,11,16H,5-7,10,12H2,1-4H3