3P5

(3S,4S,5R)-3-(3-bromo-4-hydroxybenzyl)-5-[(3-cyclopropylbenzyl)amino]tetrahydro-2H-thiopyran-4-ol 1,1-dioxide


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Chemical Component Summary

Name(3S,4S,5R)-3-(3-bromo-4-hydroxybenzyl)-5-[(3-cyclopropylbenzyl)amino]tetrahydro-2H-thiopyran-4-ol 1,1-dioxide
Identifiers(3S,4S,5R)-3-[(3-bromo-4-hydroxy-phenyl)methyl]-5-[(3-cyclopropylphenyl)methylamino]-1,1-dioxo-thian-4-ol
FormulaC22 H26 Br N O4 S
Molecular Weight480.415
TypeNON-POLYMER
Isomeric SMILESc1cc(cc(c1)C2CC2)CN[C@H]3CS(=O)(=O)C[C@H]([C@@H]3O)Cc4ccc(c(c4)Br)O
InChIInChI=1S/C22H26BrNO4S/c23-19-10-14(4-7-21(19)25)8-18-12-29(27,28)13-20(22(18)26)24-11-15-2-1-3-17(9-15)16-5-6-16/h1-4,7,9-10,16,18,20,22,24-26H,5-6,8,11-13H2/t18-,20+,22+/m1/s1
InChIKeyNDEIDRFQAYLHLT-CBQOVEMMSA-N

Chemical Details

Formal Charge0
Atom Count55
Chiral Atom Count3
Bond Count58
Aromatic Bond Count12

Related Resource References

Resource NameReference
Pharos CHEMBL1614769
PubChem 24877631
ChEMBL CHEMBL1614769