LVV

4-[(4-methylphenyl)methyl]-1,4-thiazinane 1,1-dioxide

Created:	2019-03-15
Last modified:	2019-08-21

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4 entries where LVV is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	33
Chiral Atom Count	0
Bond Count	34
Aromatic Bond Count	6

2D diagram of LVV

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Chemical Component Summary
Name	4-[(4-methylphenyl)methyl]-1,4-thiazinane 1,1-dioxide
Systematic Name (OpenEye OEToolkits)	4-[(4-methylphenyl)methyl]-1,4-thiazinane 1,1-dioxide
Formula	C₁₂ H₁₇ N O₂ S
Molecular Weight	239.334
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	Cc1ccc(CN2CC[S](=O)(=O)CC2)cc1
SMILES	OpenEye OEToolkits	2.0.6	Cc1ccc(cc1)CN2CCS(=O)(=O)CC2
Canonical SMILES	CACTVS	3.385	Cc1ccc(CN2CC[S](=O)(=O)CC2)cc1
Canonical SMILES	OpenEye OEToolkits	2.0.6	Cc1ccc(cc1)CN2CCS(=O)(=O)CC2
InChI	InChI	1.03	InChI=1S/C12H17NO2S/c1-11-2-4-12(5-3-11)10-13-6-8-16(14,15)9-7-13/h2-5H,6-10H2,1H3
InChIKey	InChI	1.03	PBEMXBVPRZGFNM-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	2815708
ChEMBL	CHEMBL1419545

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