I23

N-cycloheptyl-1-[(2,4,6-trimethylphenyl)sulfonyl]piperidine-4-carboxamide

Created:	2012-10-12
Last modified:	2012-12-21

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1 entries where I23 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	62
Chiral Atom Count	0
Bond Count	64
Aromatic Bond Count	6

2D diagram of I23

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Chemical Component Summary
Name	N-cycloheptyl-1-[(2,4,6-trimethylphenyl)sulfonyl]piperidine-4-carboxamide
Systematic Name (OpenEye OEToolkits)	N-cycloheptyl-1-(2,4,6-trimethylphenyl)sulfonyl-piperidine-4-carboxamide
Formula	C₂₂ H₃₄ N₂ O₃ S
Molecular Weight	406.582
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=S(=O)(c1c(cc(cc1C)C)C)N3CCC(C(=O)NC2CCCCCC2)CC3
SMILES	CACTVS	3.370	Cc1cc(C)c(c(C)c1)[S](=O)(=O)N2CCC(CC2)C(=O)NC3CCCCCC3
SMILES	OpenEye OEToolkits	1.7.6	Cc1cc(c(c(c1)C)S(=O)(=O)N2CCC(CC2)C(=O)NC3CCCCCC3)C
Canonical SMILES	CACTVS	3.370	Cc1cc(C)c(c(C)c1)[S](=O)(=O)N2CCC(CC2)C(=O)NC3CCCCCC3
Canonical SMILES	OpenEye OEToolkits	1.7.6	Cc1cc(c(c(c1)C)S(=O)(=O)N2CCC(CC2)C(=O)NC3CCCCCC3)C
InChI	InChI	1.03	InChI=1S/C22H34N2O3S/c1-16-14-17(2)21(18(3)15-16)28(26,27)24-12-10-19(11-13-24)22(25)23-20-8-6-4-5-7-9-20/h14-15,19-20H,4-13H2,1-3H3,(H,23,25)
InChIKey	InChI	1.03	GTZJATJFRQCZIY-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
Pharos	CHEMBL469792
PubChem	2110176
ChEMBL	CHEMBL469792

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