NV8

2-[1-(phenylsulfonyl)-1,8-diazaspiro[4.5]decan-8-yl]-1,3-benzoxazole

Created:	2019-12-16
Last modified:	2020-01-01

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1 entries where NV8 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	51
Chiral Atom Count	0
Bond Count	55
Aromatic Bond Count	16

2D diagram of NV8

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Chemical Component Summary
Name	2-[1-(phenylsulfonyl)-1,8-diazaspiro[4.5]decan-8-yl]-1,3-benzoxazole
Systematic Name (OpenEye OEToolkits)	2-[1-(phenylsulfonyl)-1,8-diazaspiro[4.5]decan-8-yl]-1,3-benzoxazole
Formula	C₂₁ H₂₃ N₃ O₃ S
Molecular Weight	397.491
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	O=[S](=O)(N1CCCC12CCN(CC2)c3oc4ccccc4n3)c5ccccc5
SMILES	OpenEye OEToolkits	2.0.7	c1ccc(cc1)S(=O)(=O)N2CCCC23CCN(CC3)c4nc5ccccc5o4
Canonical SMILES	CACTVS	3.385	O=[S](=O)(N1CCCC12CCN(CC2)c3oc4ccccc4n3)c5ccccc5
Canonical SMILES	OpenEye OEToolkits	2.0.7	c1ccc(cc1)S(=O)(=O)N2CCCC23CCN(CC3)c4nc5ccccc5o4
InChI	InChI	1.03	InChI=1S/C21H23N3O3S/c25-28(26,17-7-2-1-3-8-17)24-14-6-11-21(24)12-15-23(16-13-21)20-22-18-9-4-5-10-19(18)27-20/h1-5,7-10H,6,11-16H2
InChIKey	InChI	1.03	KIKWLYIDCILHAP-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	16046844

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