4-[4-(2-ethylbutoxy)phenyl]sulfonyl-1-(phenylmethyl)piperidine-4-carboxylic acid

Systemtic Name: 4-[4-(2-ethylbutoxy)phenyl]sulfonyl-1-(phenylmethyl)piperidine-4-carboxylic acid Openeye Name: 1-benzyl-4-[4-(2-ethylbutoxy)phenyl]sulfonyl-piperidine-4-carboxylic acid CAS Name: 4-[4-(2-ethylbutoxy)phenyl]sulfonyl-1-(phenylmethyl)-4-piperidinecarboxylic acid IUPAC Name: 1-benzyl-4-[4-(2-ethylbutoxy)phenyl]sulfonylpiperidine-4-carboxylic acid Traditional Name: 1-benzyl-4-[4-(2-ethylbutoxy)phenyl]sulfonyl-isonipecotic acid Formula: C25H33NO5S MolecularWeight: 459.59822

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)COC1=CC=C(C=C1)S(=O)(=O)C2(CCN(CC2)CC3=CC=CC=C3)C(=O)O

Isomeric SMILES

CCC(CC)COC1=CC=C(C=C1)S(=O)(=O)C2(CCN(CC2)CC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C25H33NO5S/c1-3-20(4-2)19-31-22-10-12-23(13-11-22)32(29,30)25(24(27)28)14-16-26(17-15-25)18-21-8-6-5-7-9-21/h5-13,20H,3-4,14-19H2,1-2H3,(H,27,28)