methyl 1-[2-(4-piperidin-1-ylsulfonylphenyl)carbonyloxyethanoyl]piperidine-4-carboxylate

Systemtic Name: methyl 1-[2-(4-piperidin-1-ylsulfonylphenyl)carbonyloxyethanoyl]piperidine-4-carboxylate Openeye Name: methyl 1-[2-[4-(1-piperidylsulfonyl)benzoyl]oxyacetyl]piperidine-4-carboxylate CAS Name: 1-[1-oxo-2-[oxo-[4-(1-piperidinylsulfonyl)phenyl]methoxy]ethyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[2-(4-piperidin-1-ylsulfonylbenzoyl)oxyacetyl]piperidine-4-carboxylate Traditional Name: 1-[2-(4-piperidinosulfonylbenzoyl)oxyacetyl]isonipecotic acid methyl ester Formula: C21H28N2O7S MolecularWeight: 452.52122

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCN(CC1)C(=O)COC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCCC3

Isomeric SMILES

COC(=O)C1CCN(CC1)C(=O)COC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C21H28N2O7S/c1-29-20(25)17-9-13-22(14-10-17)19(24)15-30-21(26)16-5-7-18(8-6-16)31(27,28)23-11-3-2-4-12-23/h5-8,17H,2-4,9-15H2,1H3