1-butyl-2-(4-methoxyphenyl)sulfonyl-piperidine-4-carboxylic acid

Systemtic Name: 1-butyl-2-(4-methoxyphenyl)sulfonyl-piperidine-4-carboxylic acid Openeye Name: 1-butyl-2-(4-methoxyphenyl)sulfonyl-piperidine-4-carboxylic acid CAS Name: 1-butyl-2-(4-methoxyphenyl)sulfonyl-4-piperidinecarboxylic acid IUPAC Name: 1-butyl-2-(4-methoxyphenyl)sulfonylpiperidine-4-carboxylic acid Traditional Name: 1-butyl-2-(4-methoxyphenyl)sulfonyl-isonipecotic acid Formula: C17H25NO5S MolecularWeight: 355.4491

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1CCC(CC1S(=O)(=O)C2=CC=C(C=C2)OC)C(=O)O

Isomeric SMILES

CCCCN1CCC(CC1S(=O)(=O)C2=CC=C(C=C2)OC)C(=O)O

InChI

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