ethyl 4-(4-butoxyphenyl)sulfonyl-1-(2-phenoxyethyl)piperidine-4-carboxylate

Systemtic Name: ethyl 4-(4-butoxyphenyl)sulfonyl-1-(2-phenoxyethyl)piperidine-4-carboxylate Openeye Name: ethyl 4-(4-butoxyphenyl)sulfonyl-1-(2-phenoxyethyl)piperidine-4-carboxylate CAS Name: 4-(4-butoxyphenyl)sulfonyl-1-(2-phenoxyethyl)-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-butoxyphenyl)sulfonyl-1-(2-phenoxyethyl)piperidine-4-carboxylate Traditional Name: 4-(4-butoxyphenyl)sulfonyl-1-(2-phenoxyethyl)isonipecotic acid ethyl ester Formula: C26H35NO6S MolecularWeight: 489.6242

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H35NO6S/c1-3-5-20-32-23-11-13-24(14-12-23)34(29,30)26(25(28)31-4-2)15-17-27(18-16-26)19-21-33-22-9-7-6-8-10-22/h6-14H,3-5,15-21H2,1-2H3