Chemical Component Summary

Name4-[(6-CHLORO-1-BENZOTHIEN-2-YL)SULFONYL]-1-{[1-(2-HYDROXYETHYL)-1H-PYRROLO[3,2-C]PYRIDIN-2-YL]METHYL}PIPERAZIN-2-ONE
Identifiers(4S)-4-[(6-chloro-1-benzothiophen-2-yl)sulfonyl]-1-[[1-(2-hydroxyethyl)pyrrolo[4,5-c]pyridin-2-yl]methyl]piperazin-2-one
FormulaC22 H21 Cl N4 O4 S2
Molecular Weight505.01
TypeNON-POLYMER
Isomeric SMILESc1cc(cc2c1cc(s2)S(=O)(=O)[N@]3CCN(C(=O)C3)Cc4cc5cnccc5n4CCO)Cl
InChIInChI=1S/C22H21ClN4O4S2/c23-17-2-1-15-10-22(32-20(15)11-17)33(30,31)26-6-5-25(21(29)14-26)13-18-9-16-12-24-4-3-19(16)27(18)7-8-28/h1-4,9-12,28H,5-8,13-14H2
InChIKeyNZNFLUOJACWZKX-UHFFFAOYSA-N

Chemical Details

Formal Charge0
Atom Count54
Chiral Atom Count1
Bond Count58
Aromatic Bond Count20

Related Resource References

Resource NameReference
Pharos CHEMBL157813
PubChem 447361
ChEMBL CHEMBL157813