2-methoxy-1-phenethyl-2-(phenylsulfonyl)piperidine-4-carboxylic acid

Systemtic Name: 2-methoxy-1-phenethyl-2-(phenylsulfonyl)piperidine-4-carboxylic acid Openeye Name: 2-(benzenesulfonyl)-2-methoxy-1-phenethyl-piperidine-4-carboxylic acid CAS Name: 2-(benzenesulfonyl)-2-methoxy-1-phenethyl-4-piperidinecarboxylic acid IUPAC Name: 2-(benzenesulfonyl)-2-methoxy-1-phenethylpiperidine-4-carboxylic acid Traditional Name: 2-besyl-2-methoxy-1-phenethyl-isonipecotic acid Formula: C21H25NO5S MolecularWeight: 403.4919

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Descriptors Computed from Structure

Canonical SMILES:

COC1(CC(CCN1CCC2=CC=CC=C2)C(=O)O)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

COC1(CC(CCN1CCC2=CC=CC=C2)C(=O)O)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H25NO5S/c1-27-21(28(25,26)19-10-6-3-7-11-19)16-18(20(23)24)13-15-22(21)14-12-17-8-4-2-5-9-17/h2-11,18H,12-16H2,1H3,(H,23,24)