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

Systemtic Name: ethyl 1-(4-methyl-3-pyrrolidin-1-ylsulfonyl-phenyl)carbonylpiperidine-4-carboxylate Openeye Name: ethyl 1-(4-methyl-3-pyrrolidin-1-ylsulfonyl-benzoyl)piperidine-4-carboxylate CAS Name: 1-[[4-methyl-3-(1-pyrrolidinylsulfonyl)phenyl]-oxomethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(4-methyl-3-pyrrolidin-1-ylsulfonylbenzoyl)piperidine-4-carboxylate Traditional Name: 1-(4-methyl-3-pyrrolidinosulfonyl-benzoyl)isonipecotic acid ethyl ester Formula: C20H28N2O5S MolecularWeight: 408.51172

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H28N2O5S/c1-3-27-20(24)16-8-12-21(13-9-16)19(23)17-7-6-15(2)18(14-17)28(25,26)22-10-4-5-11-22/h6-7,14,16H,3-5,8-13H2,1-2H3