VTF

~{N}-[4-[4-(4-cyano-6-methyl-pyrimidin-2-yl)piperazin-1-yl]sulfonylphenyl]-2-[methyl(methylsulfonyl)amino]benzamide

Created: 2023-09-18
Last modified:  2024-04-17

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Chemical Details

Formal Charge0
Atom Count66
Chiral Atom Count0
Bond Count69
Aromatic Bond Count18
2D diagram of VTF
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Chemical Component Summary

Name~{N}-[4-[4-(4-cyano-6-methyl-pyrimidin-2-yl)piperazin-1-yl]sulfonylphenyl]-2-[methyl(methylsulfonyl)amino]benzamide
Systematic Name (OpenEye OEToolkits)~{N}-[4-[4-(4-cyano-6-methyl-pyrimidin-2-yl)piperazin-1-yl]sulfonylphenyl]-2-[methyl(methylsulfonyl)amino]benzamide
FormulaC25 H27 N7 O5 S2
Molecular Weight569.656
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESCACTVS3.385CN(c1ccccc1C(=O)Nc2ccc(cc2)[S](=O)(=O)N3CCN(CC3)c4nc(C)cc(n4)C#N)[S](C)(=O)=O
SMILESOpenEye OEToolkits2.0.7Cc1cc(nc(n1)N2CCN(CC2)S(=O)(=O)c3ccc(cc3)NC(=O)c4ccccc4N(C)S(=O)(=O)C)C#N
Canonical SMILESCACTVS3.385 CN(c1ccccc1C(=O)Nc2ccc(cc2)[S](=O)(=O)N3CCN(CC3)c4nc(C)cc(n4)C#N)[S](C)(=O)=O
Canonical SMILESOpenEye OEToolkits2.0.7 Cc1cc(nc(n1)N2CCN(CC2)S(=O)(=O)c3ccc(cc3)NC(=O)c4ccccc4N(C)S(=O)(=O)C)C#N
InChIInChI1.06 InChI=1S/C25H27N7O5S2/c1-18-16-20(17-26)29-25(27-18)31-12-14-32(15-13-31)39(36,37)21-10-8-19(9-11-21)28-24(33)22-6-4-5-7-23(22)30(2)38(3,34)35/h4-11,16H,12-15H2,1-3H3,(H,28,33)
InChIKeyInChI1.06 GYNDUARBATVDGK-UHFFFAOYSA-N

Related Resource References

Resource NameReference
PubChem 171121777