E0A

N-(1-ethyl-2-oxo-1,2-dihydrobenzo[cd]indol-6-yl)butane-1-sulfonamide

Created:	2015-08-10
Last modified:	2016-01-13

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1 entries where E0A is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	43
Chiral Atom Count	0
Bond Count	45
Aromatic Bond Count	11

2D diagram of E0A

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Chemical Component Summary
Name	N-(1-ethyl-2-oxo-1,2-dihydrobenzo[cd]indol-6-yl)butane-1-sulfonamide
Systematic Name (OpenEye OEToolkits)	N-(1-ethyl-2-oxidanylidene-benzo[cd]indol-6-yl)butane-1-sulfonamide
Formula	C₁₇ H₂₀ N₂ O₃ S
Molecular Weight	332.417
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	CCCCS(Nc1c3c2c(cc1)N(C(c2ccc3)=O)CC)(=O)=O
SMILES	CACTVS	3.385	CCCC[S](=O)(=O)Nc1ccc2N(CC)C(=O)c3cccc1c23
SMILES	OpenEye OEToolkits	1.9.2	CCCCS(=O)(=O)Nc1ccc2c3c1cccc3C(=O)N2CC
Canonical SMILES	CACTVS	3.385	CCCC[S](=O)(=O)Nc1ccc2N(CC)C(=O)c3cccc1c23
Canonical SMILES	OpenEye OEToolkits	1.9.2	CCCCS(=O)(=O)Nc1ccc2c3c1cccc3C(=O)N2CC
InChI	InChI	1.03	InChI=1S/C17H20N2O3S/c1-3-5-11-23(21,22)18-14-9-10-15-16-12(14)7-6-8-13(16)17(20)19(15)4-2/h6-10,18H,3-5,11H2,1-2H3
InChIKey	InChI	1.03	JUHZCNLGDKZRME-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
Pharos	CHEMBL3780901
PubChem	105539842
ChEMBL	CHEMBL3780901

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.