KUH

~{N}-[5-(diethylsulfamoyl)-2-methoxy-phenyl]-3-methyl-4-oxidanylidene-5,6,7,8-tetrahydro-2~{H}-cyclohepta[c]pyrrole-1-carboxamide

Created:	2019-06-27
Last modified:	2020-12-09

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1 entries where KUH is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	60
Chiral Atom Count	0
Bond Count	62
Aromatic Bond Count	11

2D diagram of KUH

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Chemical Component Summary
Name	~{N}-[5-(diethylsulfamoyl)-2-methoxy-phenyl]-3-methyl-4-oxidanylidene-5,6,7,8-tetrahydro-2~{H}-cyclohepta[c]pyrrole-1-carboxamide
Systematic Name (OpenEye OEToolkits)	~{N}-[5-(diethylsulfamoyl)-2-methoxy-phenyl]-3-methyl-4-oxidanylidene-5,6,7,8-tetrahydro-2~{H}-cyclohepta[c]pyrrole-1-carboxamide
Formula	C₂₂ H₂₉ N₃ O₅ S
Molecular Weight	447.548
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	CCN(CC)[S](=O)(=O)c1ccc(OC)c(NC(=O)c2[nH]c(C)c3C(=O)CCCCc23)c1
SMILES	OpenEye OEToolkits	2.0.7	CCN(CC)S(=O)(=O)c1ccc(c(c1)NC(=O)c2c3c(c([nH]2)C)C(=O)CCCC3)OC
Canonical SMILES	CACTVS	3.385	CCN(CC)[S](=O)(=O)c1ccc(OC)c(NC(=O)c2[nH]c(C)c3C(=O)CCCCc23)c1
Canonical SMILES	OpenEye OEToolkits	2.0.7	CCN(CC)S(=O)(=O)c1ccc(c(c1)NC(=O)c2c3c(c([nH]2)C)C(=O)CCCC3)OC
InChI	InChI	1.03	InChI=1S/C22H29N3O5S/c1-5-25(6-2)31(28,29)15-11-12-19(30-4)17(13-15)24-22(27)21-16-9-7-8-10-18(26)20(16)14(3)23-21/h11-13,23H,5-10H2,1-4H3,(H,24,27)
InChIKey	InChI	1.03	DLOWILGTRNUHPQ-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	147384222

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