ethyl 1-[2-(4-chloranyl-3-pyrrolidin-1-ylsulfonyl-phenyl)carbonyloxyethanoyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[2-(4-chloranyl-3-pyrrolidin-1-ylsulfonyl-phenyl)carbonyloxyethanoyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[2-(4-chloro-3-pyrrolidin-1-ylsulfonyl-benzoyl)oxyacetyl]piperidine-4-carboxylate CAS Name: 1-[2-[[4-chloro-3-(1-pyrrolidinylsulfonyl)phenyl]-oxomethoxy]-1-oxoethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-(4-chloro-3-pyrrolidin-1-ylsulfonylbenzoyl)oxyacetyl]piperidine-4-carboxylate Traditional Name: 1-[2-(4-chloro-3-pyrrolidinosulfonyl-benzoyl)oxyacetyl]isonipecotic acid ethyl ester Formula: C21H27ClN2O7S MolecularWeight: 486.96628

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)COC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCCC3

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)COC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C21H27ClN2O7S/c1-2-30-20(26)15-7-11-23(12-8-15)19(25)14-31-21(27)16-5-6-17(22)18(13-16)32(28,29)24-9-3-4-10-24/h5-6,13,15H,2-4,7-12,14H2,1H3