VYR

N-[(S)-1-[5-(5-Chloro-thiophen-2-yl)-isoxazol-3-ylmethyl]-2-(4-methoxy-piperidin-1-yl)-2-oxo-ethyl]-2-ethyl-3-(3-oxo-morpholin-4-yl)-benzenesulfonamide


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Chemical Component Summary

NameN-[(S)-1-[5-(5-Chloro-thiophen-2-yl)-isoxazol-3-ylmethyl]-2-(4-methoxy-piperidin-1-yl)-2-oxo-ethyl]-2-ethyl-3-(3-oxo-morpholin-4-yl)-benzenesulfonamide
IdentifiersN-[(2S)-3-[5-(5-chloranylthiophen-2-yl)-1,2-oxazol-3-yl]-1-(4-methoxypiperidin-1-yl)-1-oxidanylidene-propan-2-yl]-2-ethyl-3-(3-oxidanylidenemorpholin-4-yl)benzenesulfonamide
FormulaC28 H33 Cl N4 O7 S2
Molecular Weight637.167
TypeNON-POLYMER
Isomeric SMILESCCc1c(cccc1S(=O)(=O)N[C@@H](Cc2cc(on2)c3ccc(s3)Cl)C(=O)N4CCC(CC4)OC)N5CCOCC5=O
InChIInChI=1S/C28H33ClN4O7S2/c1-3-20-22(33-13-14-39-17-27(33)34)5-4-6-25(20)42(36,37)31-21(28(35)32-11-9-19(38-2)10-12-32)15-18-16-23(40-30-18)24-7-8-26(29)41-24/h4-8,16,19,21,31H,3,9-15,17H2,1-2H3/t21-/m0/s1
InChIKeyVOALXMVXTCHJGT-NRFANRHFSA-N

Chemical Details

Formal Charge0
Atom Count75
Chiral Atom Count1
Bond Count79
Aromatic Bond Count16

Related Resource References

Resource NameReference
Pharos CHEMBL3091505
PubChem 66911194
ChEMBL CHEMBL3091505