4-(4-butoxyphenyl)sulfonyl-1-methyl-piperidine-4-carboxylic acid

Systemtic Name: 4-(4-butoxyphenyl)sulfonyl-1-methyl-piperidine-4-carboxylic acid Openeye Name: 4-(4-butoxyphenyl)sulfonyl-1-methyl-piperidine-4-carboxylic acid CAS Name: 4-(4-butoxyphenyl)sulfonyl-1-methyl-4-piperidinecarboxylic acid IUPAC Name: 4-(4-butoxyphenyl)sulfonyl-1-methylpiperidine-4-carboxylic acid Traditional Name: 4-(4-butoxyphenyl)sulfonyl-1-methyl-isonipecotic acid Formula: C17H25NO5S MolecularWeight: 355.4491

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)S(=O)(=O)C2(CCN(CC2)C)C(=O)O

Isomeric SMILES

CCCCOC1=CC=C(C=C1)S(=O)(=O)C2(CCN(CC2)C)C(=O)O

InChI

InChI=1S/C17H25NO5S/c1-3-4-13-23-14-5-7-15(8-6-14)24(21,22)17(16(19)20)9-11-18(2)12-10-17/h5-8H,3-4,9-13H2,1-2H3,(H,19,20)