methyl 1-[2-(2-chloranyl-5-pyrrolidin-1-ylsulfonyl-phenyl)carbonyloxyethanoyl]piperidine-4-carboxylate

Systemtic Name: methyl 1-[2-(2-chloranyl-5-pyrrolidin-1-ylsulfonyl-phenyl)carbonyloxyethanoyl]piperidine-4-carboxylate Openeye Name: methyl 1-[2-(2-chloro-5-pyrrolidin-1-ylsulfonyl-benzoyl)oxyacetyl]piperidine-4-carboxylate CAS Name: 1-[2-[[2-chloro-5-(1-pyrrolidinylsulfonyl)phenyl]-oxomethoxy]-1-oxoethyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[2-(2-chloro-5-pyrrolidin-1-ylsulfonylbenzoyl)oxyacetyl]piperidine-4-carboxylate Traditional Name: 1-[2-(2-chloro-5-pyrrolidinosulfonyl-benzoyl)oxyacetyl]isonipecotic acid methyl ester Formula: C20H25ClN2O7S MolecularWeight: 472.9397

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25ClN2O7S/c1-29-19(25)14-6-10-22(11-7-14)18(24)13-30-20(26)16-12-15(4-5-17(16)21)31(27,28)23-8-2-3-9-23/h4-5,12,14H,2-3,6-11,13H2,1H3