H4H

(1~{R},2~{S},4~{S})-~{N}-(3-chloranyl-4-cyano-phenyl)sulfonylbicyclo[2.2.1]heptane-2-carboxamide

Created:	2018-11-15
Last modified:	2019-07-10

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1 entries where H4H is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	37
Chiral Atom Count	3
Bond Count	39
Aromatic Bond Count	6

2D diagram of H4H

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Chemical Component Summary
Name	(1~{R},2~{S},4~{S})-~{N}-(3-chloranyl-4-cyano-phenyl)sulfonylbicyclo[2.2.1]heptane-2-carboxamide
Systematic Name (OpenEye OEToolkits)	(1~{R},2~{S},4~{S})-~{N}-(3-chloranyl-4-cyano-phenyl)sulfonylbicyclo[2.2.1]heptane-2-carboxamide
Formula	C₁₅ H₁₅ Cl N₂ O₃ S
Molecular Weight	338.809
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	Clc1cc(ccc1C#N)[S](=O)(=O)NC(=O)[CH]2C[CH]3CC[CH]2C3
SMILES	OpenEye OEToolkits	2.0.6	c1cc(c(cc1S(=O)(=O)NC(=O)C2CC3CCC2C3)Cl)C#N
Canonical SMILES	CACTVS	3.385	Clc1cc(ccc1C#N)[S](=O)(=O)NC(=O)[C@H]2C[C@H]3CC[C@@H]2C3
Canonical SMILES	OpenEye OEToolkits	2.0.6	c1cc(c(cc1S(=O)(=O)NC(=O)[C@H]2C[C@H]3CC[C@@H]2C3)Cl)C#N
InChI	InChI	1.03	InChI=1S/C15H15ClN2O3S/c16-14-7-12(4-3-11(14)8-17)22(20,21)18-15(19)13-6-9-1-2-10(13)5-9/h3-4,7,9-10,13H,1-2,5-6H2,(H,18,19)/t9-,10+,13-/m0/s1
InChIKey	InChI	1.03	RHQQLCMXOXXSOP-CWSCBRNRSA-N

Related Resource References

Resource Name	Reference
PubChem	95615078

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