NV7

1-[(furan-2-yl)methyl]-4-(methylsulfonyl)piperazine

Created:	2019-05-28
Last modified:	2019-08-07

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3 entries where NV7 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	32
Chiral Atom Count	0
Bond Count	33
Aromatic Bond Count	5

2D diagram of NV7

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Chemical Component Summary
Name	1-[(furan-2-yl)methyl]-4-(methylsulfonyl)piperazine
Systematic Name (OpenEye OEToolkits)	1-(furan-2-ylmethyl)-4-methylsulfonyl-piperazine
Formula	C₁₀ H₁₆ N₂ O₃ S
Molecular Weight	244.311
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	N2(CCN(Cc1occc1)CC2)S(C)(=O)=O
SMILES	CACTVS	3.385	C[S](=O)(=O)N1CCN(CC1)Cc2occc2
SMILES	OpenEye OEToolkits	2.0.6	CS(=O)(=O)N1CCN(CC1)Cc2ccco2
Canonical SMILES	CACTVS	3.385	C[S](=O)(=O)N1CCN(CC1)Cc2occc2
Canonical SMILES	OpenEye OEToolkits	2.0.6	CS(=O)(=O)N1CCN(CC1)Cc2ccco2
InChI	InChI	1.03	InChI=1S/C10H16N2O3S/c1-16(13,14)12-6-4-11(5-7-12)9-10-3-2-8-15-10/h2-3,8H,4-7,9H2,1H3
InChIKey	InChI	1.03	GATWUHAFAYSJAM-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	717274

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