ethyl 4-(4-butoxyphenyl)sulfonyl-1-(phenylmethyl)piperidine-4-carboxylate

Systemtic Name: ethyl 4-(4-butoxyphenyl)sulfonyl-1-(phenylmethyl)piperidine-4-carboxylate Openeye Name: ethyl 1-benzyl-4-(4-butoxyphenyl)sulfonyl-piperidine-4-carboxylate CAS Name: 4-(4-butoxyphenyl)sulfonyl-1-(phenylmethyl)-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-benzyl-4-(4-butoxyphenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-benzyl-4-(4-butoxyphenyl)sulfonyl-isonipecotic acid ethyl ester Formula: C25H33NO5S MolecularWeight: 459.59822

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)S(=O)(=O)C2(CCN(CC2)CC3=CC=CC=C3)C(=O)OCC

Isomeric SMILES

CCCCOC1=CC=C(C=C1)S(=O)(=O)C2(CCN(CC2)CC3=CC=CC=C3)C(=O)OCC

InChI

InChI=1S/C25H33NO5S/c1-3-5-19-31-22-11-13-23(14-12-22)32(28,29)25(24(27)30-4-2)15-17-26(18-16-25)20-21-9-7-6-8-10-21/h6-14H,3-5,15-20H2,1-2H3