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Details

Stereochemistry ABSOLUTE
Molecular Formula C29H26ClF4N3O5S2
Molecular Weight 672.11
Optical Activity ( - )
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of BAY-1214784

SMILES

FC1=CC=C(C=C1)S(=O)(=O)N2[C@@H](C3CC3)C4(CCS(=O)(=O)CC4)C5=C2C=CC(=C5)C(=O)NCC6=C(Cl)C=C(C=N6)C(F)(F)F

InChI

InChIKey=PZGSYNNVPNLHQG-SANMLTNESA-N
InChI=1S/C29H26ClF4N3O5S2/c30-23-14-19(29(32,33)34)15-35-24(23)16-36-27(38)18-3-8-25-22(13-18)28(9-11-43(39,40)12-10-28)26(17-1-2-17)37(25)44(41,42)21-6-4-20(31)5-7-21/h3-8,13-15,17,26H,1-2,9-12,16H2,(H,36,38)/t26-/m0/s1

HIDE SMILES / InChI

Molecular Formula C29H26ClF4N3O5S2
Molecular Weight 672.11
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 19:06:07 UTC 2023
Edited
by admin
on Sat Dec 16 19:06:07 UTC 2023
Record UNII
66VRX9TN9T
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
BAY-1214784
Code English
BAY-784
Code English
SPIRO(3H-INDOLE-3,4'-(4H)THIOPYRAN)-5-CARBOXAMIDE, N-((3-CHLORO-5-(TRIFLUOROMETHYL)-2-PYRIDINYL)METHYL)-2-CYCLOPROPYL-1-((4-FLUOROPHENYL)SULFONYL)-1,2,2',3',5',6'-HEXAHYDRO-, 1',1'-DIOXIDE, (2S)-
Systematic Name English
Code System Code Type Description
PUBCHEM
85469632
Created by admin on Sat Dec 16 19:06:07 UTC 2023 , Edited by admin on Sat Dec 16 19:06:07 UTC 2023
PRIMARY
CAS
1631164-24-3
Created by admin on Sat Dec 16 19:06:07 UTC 2023 , Edited by admin on Sat Dec 16 19:06:07 UTC 2023
PRIMARY
FDA UNII
66VRX9TN9T
Created by admin on Sat Dec 16 19:06:07 UTC 2023 , Edited by admin on Sat Dec 16 19:06:07 UTC 2023
PRIMARY
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TARGET -> INHIBITOR
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