methyl 1-[3-(4-pyrrolidin-1-ylsulfonylphenyl)propanoyl]piperidine-4-carboxylate

Systemtic Name: methyl 1-[3-(4-pyrrolidin-1-ylsulfonylphenyl)propanoyl]piperidine-4-carboxylate Openeye Name: methyl 1-[3-(4-pyrrolidin-1-ylsulfonylphenyl)propanoyl]piperidine-4-carboxylate CAS Name: 1-[1-oxo-3-[4-(1-pyrrolidinylsulfonyl)phenyl]propyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[3-(4-pyrrolidin-1-ylsulfonylphenyl)propanoyl]piperidine-4-carboxylate Traditional Name: 1-[3-(4-pyrrolidinosulfonylphenyl)propanoyl]isonipecotic acid methyl ester Formula: C20H28N2O5S MolecularWeight: 408.51172

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCN(CC1)C(=O)CCC2=CC=C(C=C2)S(=O)(=O)N3CCCC3

Isomeric SMILES

COC(=O)C1CCN(CC1)C(=O)CCC2=CC=C(C=C2)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C20H28N2O5S/c1-27-20(24)17-10-14-21(15-11-17)19(23)9-6-16-4-7-18(8-5-16)28(25,26)22-12-2-3-13-22/h4-5,7-8,17H,2-3,6,9-15H2,1H3