4-(4-butoxyphenyl)sulfonyl-1-(3-phenoxypropyl)piperidine-4-carboxylic acid

Systemtic Name: 4-(4-butoxyphenyl)sulfonyl-1-(3-phenoxypropyl)piperidine-4-carboxylic acid Openeye Name: 4-(4-butoxyphenyl)sulfonyl-1-(3-phenoxypropyl)piperidine-4-carboxylic acid CAS Name: 4-(4-butoxyphenyl)sulfonyl-1-(3-phenoxypropyl)-4-piperidinecarboxylic acid IUPAC Name: 4-(4-butoxyphenyl)sulfonyl-1-(3-phenoxypropyl)piperidine-4-carboxylic acid Traditional Name: 4-(4-butoxyphenyl)sulfonyl-1-(3-phenoxypropyl)isonipecotic acid Formula: C25H33NO6S MolecularWeight: 475.59762

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)S(=O)(=O)C2(CCN(CC2)CCCOC3=CC=CC=C3)C(=O)O

Isomeric SMILES

CCCCOC1=CC=C(C=C1)S(=O)(=O)C2(CCN(CC2)CCCOC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C25H33NO6S/c1-2-3-19-31-22-10-12-23(13-11-22)33(29,30)25(24(27)28)14-17-26(18-15-25)16-7-20-32-21-8-5-4-6-9-21/h4-6,8-13H,2-3,7,14-20H2,1H3,(H,27,28)