FW3

2-[1-(1,3-benzothiazol-6-ylsulfonyl)piperidin-4-yl]-~{N}-[(3-chloranyl-4-phenyl-phenyl)methyl]ethanamine

Created:	2023-07-20
Last modified:	2023-09-20

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1 entries where FW3 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	63
Chiral Atom Count	0
Bond Count	67
Aromatic Bond Count	22

2D diagram of FW3

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Chemical Component Summary
Name	2-[1-(1,3-benzothiazol-6-ylsulfonyl)piperidin-4-yl]-~{N}-[(3-chloranyl-4-phenyl-phenyl)methyl]ethanamine
Systematic Name (OpenEye OEToolkits)	2-[1-(1,3-benzothiazol-6-ylsulfonyl)piperidin-4-yl]-~{N}-[(3-chloranyl-4-phenyl-phenyl)methyl]ethanamine
Formula	C₂₇ H₂₈ Cl N₃ O₂ S₂
Molecular Weight	526.113
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	Clc1cc(CNCCC2CCN(CC2)[S](=O)(=O)c3ccc4ncsc4c3)ccc1c5ccccc5
SMILES	OpenEye OEToolkits	2.0.7	c1ccc(cc1)c2ccc(cc2Cl)CNCCC3CCN(CC3)S(=O)(=O)c4ccc5c(c4)scn5
Canonical SMILES	CACTVS	3.385	Clc1cc(CNCCC2CCN(CC2)[S](=O)(=O)c3ccc4ncsc4c3)ccc1c5ccccc5
Canonical SMILES	OpenEye OEToolkits	2.0.7	c1ccc(cc1)c2ccc(cc2Cl)CNCCC3CCN(CC3)S(=O)(=O)c4ccc5c(c4)scn5
InChI	InChI	1.06	InChI=1S/C27H28ClN3O2S2/c28-25-16-21(6-8-24(25)22-4-2-1-3-5-22)18-29-13-10-20-11-14-31(15-12-20)35(32,33)23-7-9-26-27(17-23)34-19-30-26/h1-9,16-17,19-20,29H,10-15,18H2
InChIKey	InChI	1.06	VHVPHPDCJZMZGQ-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	168490207

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