(4-pyrrolidin-1-ylcarbonylphenyl)methyl 1-ethylsulfonylpiperidine-4-carboxylate

Systemtic Name: (4-pyrrolidin-1-ylcarbonylphenyl)methyl 1-ethylsulfonylpiperidine-4-carboxylate Openeye Name: [4-(pyrrolidine-1-carbonyl)phenyl]methyl 1-ethylsulfonylpiperidine-4-carboxylate CAS Name: 1-ethylsulfonyl-4-piperidinecarboxylic acid [4-[oxo(1-pyrrolidinyl)methyl]phenyl]methyl ester IUPAC Name: [4-(pyrrolidine-1-carbonyl)phenyl]methyl 1-ethylsulfonylpiperidine-4-carboxylate Traditional Name: 1-esylisonipecotic acid [4-(pyrrolidine-1-carbonyl)benzyl] ester Formula: C20H28N2O5S MolecularWeight: 408.51172

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N1CCC(CC1)C(=O)OCC2=CC=C(C=C2)C(=O)N3CCCC3

Isomeric SMILES

CCS(=O)(=O)N1CCC(CC1)C(=O)OCC2=CC=C(C=C2)C(=O)N3CCCC3

InChI

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