A1B1V

(R)-N-(4-amino-4'-fluoro-[1,1'-biphenyl]-3-yl)-4-(S-methylsulfonimidoyl)benzamide

Created:	2025-03-20
Last modified:	2025-09-17

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1 entries where A1B1V is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	45
Chiral Atom Count	1
Bond Count	47
Aromatic Bond Count	18

2D diagram of A1B1V

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Chemical Component Summary
Name	(R)-N-(4-amino-4'-fluoro-[1,1'-biphenyl]-3-yl)-4-(S-methylsulfonimidoyl)benzamide
Systematic Name (OpenEye OEToolkits)	~{N}-[2-azanyl-5-(4-fluorophenyl)phenyl]-4-(methylsulfonimidoyl)benzamide
Formula	C₂₀ H₁₈ F N₃ O₂ S
Molecular Weight	383.439
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	14.52	O=S(C)(=N)c1ccc(cc1)C(=O)Nc1cc(ccc1N)c1ccc(F)cc1
SMILES	CACTVS	3.385	C[S](=N)(=O)c1ccc(cc1)C(=O)Nc2cc(ccc2N)c3ccc(F)cc3
SMILES	OpenEye OEToolkits	3.1.0.0	CS(=N)(=O)c1ccc(cc1)C(=O)Nc2cc(ccc2N)c3ccc(cc3)F
Canonical SMILES	CACTVS	3.385	C[S@@](=N)(=O)c1ccc(cc1)C(=O)Nc2cc(ccc2N)c3ccc(F)cc3
Canonical SMILES	OpenEye OEToolkits	3.1.0.0	CS(=N)(=O)c1ccc(cc1)C(=O)Nc2cc(ccc2N)c3ccc(cc3)F
InChI	InChI	1.06	InChI=1S/C20H18FN3O2S/c1-27(23,26)17-9-4-14(5-10-17)20(25)24-19-12-15(6-11-18(19)22)13-2-7-16(21)8-3-13/h2-12,23H,22H2,1H3,(H,24,25)/t27-/m1/s1
InChIKey	InChI	1.06	JPFMYSJUFUEHBI-HHHXNRCGSA-N

Related Resource References

Resource Name	Reference
PubChem	168264922

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