4-(4-butoxyphenyl)sulfonyl-1-(2-phenoxyethyl)piperidine-4-carboxylic acid

Systemtic Name: 4-(4-butoxyphenyl)sulfonyl-1-(2-phenoxyethyl)piperidine-4-carboxylic acid Openeye Name: 4-(4-butoxyphenyl)sulfonyl-1-(2-phenoxyethyl)piperidine-4-carboxylic acid CAS Name: 4-(4-butoxyphenyl)sulfonyl-1-(2-phenoxyethyl)-4-piperidinecarboxylic acid IUPAC Name: 4-(4-butoxyphenyl)sulfonyl-1-(2-phenoxyethyl)piperidine-4-carboxylic acid Traditional Name: 4-(4-butoxyphenyl)sulfonyl-1-(2-phenoxyethyl)isonipecotic acid Formula: C24H31NO6S MolecularWeight: 461.57104

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)S(=O)(=O)C2(CCN(CC2)CCOC3=CC=CC=C3)C(=O)O

Isomeric SMILES

CCCCOC1=CC=C(C=C1)S(=O)(=O)C2(CCN(CC2)CCOC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C24H31NO6S/c1-2-3-18-30-21-9-11-22(12-10-21)32(28,29)24(23(26)27)13-15-25(16-14-24)17-19-31-20-7-5-4-6-8-20/h4-12H,2-3,13-19H2,1H3,(H,26,27)