A1IDV

3-[[(1~{R},4~{Z})-cyclododec-4-en-1-yl]amino]-4-ethylsulfonyl-2,5,6-tris(fluoranyl)benzenesulfonamide

Created:	2024-06-06
Last modified:	2024-12-18

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1 entries where A1IDV is covalently linked to polymer or other heterogen groups

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Chemical Details
Formal Charge	0
Atom Count	60
Chiral Atom Count	0
Bond Count	61
Aromatic Bond Count	6

2D diagram of A1IDV

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Chemical Component Summary
Name	3-[[(1~{R},4~{Z})-cyclododec-4-en-1-yl]amino]-4-ethylsulfonyl-2,5,6-tris(fluoranyl)benzenesulfonamide
Systematic Name (OpenEye OEToolkits)	3-[[(1~{R},4~{Z})-cyclododec-4-en-1-yl]amino]-4-ethylsulfonyl-2,5,6-tris(fluoranyl)benzenesulfonamide
Formula	C₂₀ H₂₉ F₃ N₂ O₄ S₂
Molecular Weight	482.58
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	CC[S](=O)(=O)c1c(F)c(F)c(c(F)c1N[CH]2CCCCCCCC=CCC2)[S](N)(=O)=O
SMILES	OpenEye OEToolkits	2.0.7	CCS(=O)(=O)c1c(c(c(c(c1F)F)S(=O)(=O)N)F)NC2CCCCCCCC=CCC2
Canonical SMILES	CACTVS	3.385	CC[S](=O)(=O)c1c(F)c(F)c(c(F)c1N[C@@H]2CCCCCCC\C=C/CC2)[S](N)(=O)=O
Canonical SMILES	OpenEye OEToolkits	2.0.7	CCS(=O)(=O)c1c(c(c(c(c1F)F)S(=O)(=O)N)F)N[C@@H]2CCCCCCC/C=C\CC2
InChI	InChI	1.06	InChI=1S/C20H29F3N2O4S2/c1-2-30(26,27)20-16(22)15(21)19(31(24,28)29)17(23)18(20)25-14-12-10-8-6-4-3-5-7-9-11-13-14/h6,8,14,25H,2-5,7,9-13H2,1H3,(H2,24,28,29)/b8-6-/t14-/m0/s1
InChIKey	InChI	1.06	BRPUBDQEZQYBOW-QPBFKRLHSA-N

Related Resource References

Resource Name	Reference
PubChem	172636013

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