R92

4-chloranyl-~{N}-[(1~{S})-1-(2-hydroxyphenyl)ethyl]-3-sulfamoyl-benzamide

Created:	2017-05-11
Last modified:	2018-01-17

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1 entries where R92 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	38
Chiral Atom Count	1
Bond Count	39
Aromatic Bond Count	12

2D diagram of R92

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Chemical Component Summary
Name	4-chloranyl-~{N}-[(1~{S})-1-(2-hydroxyphenyl)ethyl]-3-sulfamoyl-benzamide
Systematic Name (OpenEye OEToolkits)	4-chloranyl-~{N}-[(1~{S})-1-(2-hydroxyphenyl)ethyl]-3-sulfamoyl-benzamide
Formula	C₁₅ H₁₅ Cl N₂ O₄ S
Molecular Weight	354.809
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	C[CH](NC(=O)c1ccc(Cl)c(c1)[S](N)(=O)=O)c2ccccc2O
SMILES	OpenEye OEToolkits	2.0.6	CC(c1ccccc1O)NC(=O)c2ccc(c(c2)S(=O)(=O)N)Cl
Canonical SMILES	CACTVS	3.385	C[C@H](NC(=O)c1ccc(Cl)c(c1)[S](N)(=O)=O)c2ccccc2O
Canonical SMILES	OpenEye OEToolkits	2.0.6	C[C@@H](c1ccccc1O)NC(=O)c2ccc(c(c2)S(=O)(=O)N)Cl
InChI	InChI	1.03	InChI=1S/C15H15ClN2O4S/c1-9(11-4-2-3-5-13(11)19)18-15(20)10-6-7-12(16)14(8-10)23(17,21)22/h2-9,19H,1H3,(H,18,20)(H2,17,21,22)/t9-/m0/s1
InChIKey	InChI	1.03	YTZRBQIEUYQFPK-VIFPVBQESA-N

Related Resource References

Resource Name	Reference
PubChem	92142839

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