EB7

2-chloro-N-(1-ethyl-2-oxo-1,2-dihydrobenzo[cd]indol-6-yl)-4-fluorobenzenesulfonamide

Created:	2015-07-29
Last modified:	2016-01-13

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1 entries where EB7 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	41
Chiral Atom Count	0
Bond Count	44
Aromatic Bond Count	17

2D diagram of EB7

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Chemical Component Summary
Name	2-chloro-N-(1-ethyl-2-oxo-1,2-dihydrobenzo[cd]indol-6-yl)-4-fluorobenzenesulfonamide
Systematic Name (OpenEye OEToolkits)	2-chloranyl-N-(1-ethyl-2-oxidanylidene-benzo[cd]indol-6-yl)-4-fluoranyl-benzenesulfonamide
Formula	C₁₉ H₁₄ Cl F N₂ O₃ S
Molecular Weight	404.842
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	Clc1cc(F)ccc1S(=O)(=O)Nc2c4c3c(cc2)N(C(c3ccc4)=O)CC
SMILES	CACTVS	3.385	CCN1C(=O)c2cccc3c(N[S](=O)(=O)c4ccc(F)cc4Cl)ccc1c23
SMILES	OpenEye OEToolkits	1.9.2	CCN1c2ccc(c3c2c(ccc3)C1=O)NS(=O)(=O)c4ccc(cc4Cl)F
Canonical SMILES	CACTVS	3.385	CCN1C(=O)c2cccc3c(N[S](=O)(=O)c4ccc(F)cc4Cl)ccc1c23
Canonical SMILES	OpenEye OEToolkits	1.9.2	CCN1c2ccc(c3c2c(ccc3)C1=O)NS(=O)(=O)c4ccc(cc4Cl)F
InChI	InChI	1.03	InChI=1S/C19H14ClFN2O3S/c1-2-23-16-8-7-15(12-4-3-5-13(18(12)16)19(23)24)22-27(25,26)17-9-6-11(21)10-14(17)20/h3-10,22H,2H2,1H3
InChIKey	InChI	1.03	JRNIXDMQFKHQLE-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
Pharos	CHEMBL3780706
PubChem	105539840
ChEMBL	CHEMBL3780706

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.