1-[[4-(4-methoxyphenyl)sulfonylnaphthalen-1-yl]methyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[[4-(4-methoxyphenyl)sulfonylnaphthalen-1-yl]methyl]piperidine-4-carboxylic acid Openeye Name: 1-[[4-(4-methoxyphenyl)sulfonyl-1-naphthyl]methyl]piperidine-4-carboxylic acid CAS Name: 1-[[4-(4-methoxyphenyl)sulfonyl-1-naphthalenyl]methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[[4-(4-methoxyphenyl)sulfonylnaphthalen-1-yl]methyl]piperidine-4-carboxylic acid Traditional Name: 1-[[4-(4-methoxyphenyl)sulfonyl-1-naphthyl]methyl]isonipecotic acid Formula: C24H25NO5S MolecularWeight: 439.524

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)C2=CC=C(C3=CC=CC=C32)CN4CCC(CC4)C(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)C2=CC=C(C3=CC=CC=C32)CN4CCC(CC4)C(=O)O

InChI

InChI=1S/C24H25NO5S/c1-30-19-7-9-20(10-8-19)31(28,29)23-11-6-18(21-4-2-3-5-22(21)23)16-25-14-12-17(13-15-25)24(26)27/h2-11,17H,12-16H2,1H3,(H,26,27)