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

Systemtic Name: ethyl 1-[5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methyl-phenyl]sulfonylpiperidine-4-carboxylate Openeye Name: ethyl 1-[5-(3,4-dimethylisoxazol-5-yl)-2-methyl-phenyl]sulfonylpiperidine-4-carboxylate CAS Name: 1-[5-(3,4-dimethyl-5-isoxazolyl)-2-methylphenyl]sulfonyl-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methylphenyl]sulfonylpiperidine-4-carboxylate Traditional Name: 1-[5-(3,4-dimethylisoxazol-5-yl)-2-methyl-phenyl]sulfonylisonipecotic acid ethyl ester Formula: C20H26N2O5S MolecularWeight: 406.49584

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C3=C(C(=NO3)C)C)C

Isomeric SMILES

CCOC(=O)C1CCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C3=C(C(=NO3)C)C)C

InChI

InChI=1S/C20H26N2O5S/c1-5-26-20(23)16-8-10-22(11-9-16)28(24,25)18-12-17(7-6-13(18)2)19-14(3)15(4)21-27-19/h6-7,12,16H,5,8-11H2,1-4H3