1-ethylsulfonyl-4-phenyl-piperidine-4-carboxylic acid

Systemtic Name: 1-ethylsulfonyl-4-phenyl-piperidine-4-carboxylic acid Openeye Name: 1-ethylsulfonyl-4-phenyl-piperidine-4-carboxylic acid CAS Name: 1-ethylsulfonyl-4-phenyl-4-piperidinecarboxylic acid IUPAC Name: 1-ethylsulfonyl-4-phenylpiperidine-4-carboxylic acid Traditional Name: 1-esyl-4-phenyl-isonipecotic acid Formula: C14H19NO4S MolecularWeight: 297.36996

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H19NO4S/c1-2-20(18,19)15-10-8-14(9-11-15,13(16)17)12-6-4-3-5-7-12/h3-7H,2,8-11H2,1H3,(H,16,17)