1-(4-butoxy-3-methyl-phenyl)sulfonylpiperidine-4-carboxylic acid

Systemtic Name: 1-(4-butoxy-3-methyl-phenyl)sulfonylpiperidine-4-carboxylic acid Openeye Name: 1-(4-butoxy-3-methyl-phenyl)sulfonylpiperidine-4-carboxylic acid CAS Name: 1-(4-butoxy-3-methylphenyl)sulfonyl-4-piperidinecarboxylic acid IUPAC Name: 1-(4-butoxy-3-methylphenyl)sulfonylpiperidine-4-carboxylic acid Traditional Name: 1-(4-butoxy-3-methyl-phenyl)sulfonylisonipecotic acid Formula: C17H25NO5S MolecularWeight: 355.4491

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)O)C

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)O)C

InChI

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