4UA

4-[[(2-methoxy-5-methyl-phenyl)sulfonylamino]methyl]-4-phenyl-N-(p-tolylmethyl)piperidine-1-carboxamide

Created: 2015-03-08
Last modified:  2015-05-13

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Chemical Details

Formal Charge0
Atom Count72
Chiral Atom Count0
Bond Count75
Aromatic Bond Count18
2D diagram of 4UA
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Chemical Component Summary

Name4-[[(2-methoxy-5-methyl-phenyl)sulfonylamino]methyl]-4-phenyl-N-(p-tolylmethyl)piperidine-1-carboxamide
Systematic Name (OpenEye OEToolkits)4-[[(2-methoxy-5-methyl-phenyl)sulfonylamino]methyl]-N-[(4-methylphenyl)methyl]-4-phenyl-piperidine-1-carboxamide
FormulaC29 H35 N3 O4 S
Molecular Weight521.671
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESCACTVS3.385COc1ccc(C)cc1[S](=O)(=O)NCC2(CCN(CC2)C(=O)NCc3ccc(C)cc3)c4ccccc4
SMILESOpenEye OEToolkits1.7.6Cc1ccc(cc1)CNC(=O)N2CCC(CC2)(CNS(=O)(=O)c3cc(ccc3OC)C)c4ccccc4
Canonical SMILESCACTVS3.385 COc1ccc(C)cc1[S](=O)(=O)NCC2(CCN(CC2)C(=O)NCc3ccc(C)cc3)c4ccccc4
Canonical SMILESOpenEye OEToolkits1.7.6 Cc1ccc(cc1)CNC(=O)N2CCC(CC2)(CNS(=O)(=O)c3cc(ccc3OC)C)c4ccccc4
InChIInChI1.03 InChI=1S/C29H35N3O4S/c1-22-9-12-24(13-10-22)20-30-28(33)32-17-15-29(16-18-32,25-7-5-4-6-8-25)21-31-37(34,35)27-19-23(2)11-14-26(27)36-3/h4-14,19,31H,15-18,20-21H2,1-3H3,(H,30,33)
InChIKeyInChI1.03 ASTQWJGBKMEGSZ-UHFFFAOYSA-N

Related Resource References

Resource NameReference
PubChem 91754976