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

Systemtic Name: ethyl 4-(4-butoxyphenyl)sulfonyl-1-[(4-cyanophenyl)methyl]piperidine-4-carboxylate Openeye Name: ethyl 4-(4-butoxyphenyl)sulfonyl-1-[(4-cyanophenyl)methyl]piperidine-4-carboxylate CAS Name: 4-(4-butoxyphenyl)sulfonyl-1-[(4-cyanophenyl)methyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-butoxyphenyl)sulfonyl-1-[(4-cyanophenyl)methyl]piperidine-4-carboxylate Traditional Name: 4-(4-butoxyphenyl)sulfonyl-1-(4-cyanobenzyl)isonipecotic acid ethyl ester Formula: C26H32N2O5S MolecularWeight: 484.60768

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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#N)C(=O)OCC

Isomeric SMILES

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

InChI

InChI=1S/C26H32N2O5S/c1-3-5-18-33-23-10-12-24(13-11-23)34(30,31)26(25(29)32-4-2)14-16-28(17-15-26)20-22-8-6-21(19-27)7-9-22/h6-13H,3-5,14-18,20H2,1-2H3