ethyl 1-(4-methoxy-3-pyrrolidin-1-ylsulfonyl-phenyl)carbonylpiperidine-4-carboxylate

Systemtic Name: ethyl 1-(4-methoxy-3-pyrrolidin-1-ylsulfonyl-phenyl)carbonylpiperidine-4-carboxylate Openeye Name: ethyl 1-(4-methoxy-3-pyrrolidin-1-ylsulfonyl-benzoyl)piperidine-4-carboxylate CAS Name: 1-[[4-methoxy-3-(1-pyrrolidinylsulfonyl)phenyl]-oxomethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(4-methoxy-3-pyrrolidin-1-ylsulfonylbenzoyl)piperidine-4-carboxylate Traditional Name: 1-(4-methoxy-3-pyrrolidinosulfonyl-benzoyl)isonipecotic acid ethyl ester Formula: C20H28N2O6S MolecularWeight: 424.51112

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H28N2O6S/c1-3-28-20(24)15-8-12-21(13-9-15)19(23)16-6-7-17(27-2)18(14-16)29(25,26)22-10-4-5-11-22/h6-7,14-15H,3-5,8-13H2,1-2H3