ethyl 1-[4-(pyrrolidin-1-ylsulfonylmethyl)phenyl]carbonylpiperidine-4-carboxylate

Systemtic Name: ethyl 1-[4-(pyrrolidin-1-ylsulfonylmethyl)phenyl]carbonylpiperidine-4-carboxylate Openeye Name: ethyl 1-[4-(pyrrolidin-1-ylsulfonylmethyl)benzoyl]piperidine-4-carboxylate CAS Name: 1-[oxo-[4-(1-pyrrolidinylsulfonylmethyl)phenyl]methyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[4-(pyrrolidin-1-ylsulfonylmethyl)benzoyl]piperidine-4-carboxylate Traditional Name: 1-[4-(pyrrolidinosulfonylmethyl)benzoyl]isonipecotic acid ethyl ester Formula: C20H28N2O5S MolecularWeight: 408.51172

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)C2=CC=C(C=C2)CS(=O)(=O)N3CCCC3

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)C2=CC=C(C=C2)CS(=O)(=O)N3CCCC3

InChI

InChI=1S/C20H28N2O5S/c1-2-27-20(24)18-9-13-21(14-10-18)19(23)17-7-5-16(6-8-17)15-28(25,26)22-11-3-4-12-22/h5-8,18H,2-4,9-15H2,1H3