(5-ethanoyl-2-ethoxy-phenyl)methyl 1-methylsulfonylpiperidine-4-carboxylate

Systemtic Name: (5-ethanoyl-2-ethoxy-phenyl)methyl 1-methylsulfonylpiperidine-4-carboxylate Openeye Name: (5-acetyl-2-ethoxy-phenyl)methyl 1-methylsulfonylpiperidine-4-carboxylate CAS Name: 1-methylsulfonyl-4-piperidinecarboxylic acid (5-acetyl-2-ethoxyphenyl)methyl ester IUPAC Name: (5-acetyl-2-ethoxyphenyl)methyl 1-methylsulfonylpiperidine-4-carboxylate Traditional Name: 1-mesylisonipecotic acid (5-acetyl-2-ethoxy-benzyl) ester Formula: C18H25NO6S MolecularWeight: 383.4592

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)C)COC(=O)C2CCN(CC2)S(=O)(=O)C

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)C)COC(=O)C2CCN(CC2)S(=O)(=O)C

InChI

InChI=1S/C18H25NO6S/c1-4-24-17-6-5-15(13(2)20)11-16(17)12-25-18(21)14-7-9-19(10-8-14)26(3,22)23/h5-6,11,14H,4,7-10,12H2,1-3H3