ethyl 4-(4-butoxyphenyl)sulfonyl-1-[(4-methylphenyl)methyl]piperidine-4-carboxylate

Systemtic Name: ethyl 4-(4-butoxyphenyl)sulfonyl-1-[(4-methylphenyl)methyl]piperidine-4-carboxylate Openeye Name: ethyl 4-(4-butoxyphenyl)sulfonyl-1-(p-tolylmethyl)piperidine-4-carboxylate CAS Name: 4-(4-butoxyphenyl)sulfonyl-1-[(4-methylphenyl)methyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-butoxyphenyl)sulfonyl-1-[(4-methylphenyl)methyl]piperidine-4-carboxylate Traditional Name: 4-(4-butoxyphenyl)sulfonyl-1-(4-methylbenzyl)isonipecotic acid ethyl ester Formula: C26H35NO5S MolecularWeight: 473.6248

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H35NO5S/c1-4-6-19-32-23-11-13-24(14-12-23)33(29,30)26(25(28)31-5-2)15-17-27(18-16-26)20-22-9-7-21(3)8-10-22/h7-14H,4-6,15-20H2,1-3H3