5HF

N-{[(3S)-1-benzylpiperidin-3-yl]methyl}-N-(2-methoxyethyl)naphthalene-2-sulfonamide

Created:	2015-09-25
Last modified:	2017-01-18

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1 entries where 5HF is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	64
Chiral Atom Count	1
Bond Count	67
Aromatic Bond Count	17

2D diagram of 5HF

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Chemical Component Summary
Name	N-{[(3S)-1-benzylpiperidin-3-yl]methyl}-N-(2-methoxyethyl)naphthalene-2-sulfonamide
Systematic Name (OpenEye OEToolkits)	N-(2-methoxyethyl)-N-[[(3S)-1-(phenylmethyl)piperidin-3-yl]methyl]naphthalene-2-sulfonamide
Formula	C₂₆ H₃₂ N₂ O₃ S
Molecular Weight	452.609
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	C4N(Cc1ccccc1)CC(CN(CCOC)S(=O)(=O)c3ccc2c(cccc2)c3)CC4
SMILES	CACTVS	3.385	COCCN(C[CH]1CCCN(C1)Cc2ccccc2)[S](=O)(=O)c3ccc4ccccc4c3
SMILES	OpenEye OEToolkits	1.9.2	COCCN(CC1CCCN(C1)Cc2ccccc2)S(=O)(=O)c3ccc4ccccc4c3
Canonical SMILES	CACTVS	3.385	COCCN(C[C@H]1CCCN(C1)Cc2ccccc2)[S](=O)(=O)c3ccc4ccccc4c3
Canonical SMILES	OpenEye OEToolkits	1.9.2	COCCN(C[C@H]1CCCN(C1)Cc2ccccc2)S(=O)(=O)c3ccc4ccccc4c3
InChI	InChI	1.03	InChI=1S/C26H32N2O3S/c1-31-17-16-28(32(29,30)26-14-13-24-11-5-6-12-25(24)18-26)21-23-10-7-15-27(20-23)19-22-8-3-2-4-9-22/h2-6,8-9,11-14,18,23H,7,10,15-17,19-21H2,1H3/t23-/m0/s1
InChIKey	InChI	1.03	NIHBOOKOQZGYSF-QHCPKHFHSA-N

Related Resource References

Resource Name	Reference
PubChem	123133730

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