EB9

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

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

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1 entries where EB9 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 EB9

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Chemical Component Summary
Name	N-(1-ethyl-2-oxo-1,2-dihydrobenzo[cd]indol-6-yl)benzenesulfonamide
Systematic Name (OpenEye OEToolkits)	N-(1-ethyl-2-oxidanylidene-benzo[cd]indol-6-yl)benzenesulfonamide
Formula	C₁₉ H₁₆ N₂ O₃ S
Molecular Weight	352.407
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	CCN2C(=O)c1c3c(ccc1)c(ccc23)NS(=O)(=O)c4ccccc4
SMILES	CACTVS	3.385	CCN1C(=O)c2cccc3c(N[S](=O)(=O)c4ccccc4)ccc1c23
SMILES	OpenEye OEToolkits	1.9.2	CCN1c2ccc(c3c2c(ccc3)C1=O)NS(=O)(=O)c4ccccc4
Canonical SMILES	CACTVS	3.385	CCN1C(=O)c2cccc3c(N[S](=O)(=O)c4ccccc4)ccc1c23
Canonical SMILES	OpenEye OEToolkits	1.9.2	CCN1c2ccc(c3c2c(ccc3)C1=O)NS(=O)(=O)c4ccccc4
InChI	InChI	1.03	InChI=1S/C19H16N2O3S/c1-2-21-17-12-11-16(14-9-6-10-15(18(14)17)19(21)22)20-25(23,24)13-7-4-3-5-8-13/h3-12,20H,2H2,1H3
InChIKey	InChI	1.03	LIRJKOSHTDJEPJ-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
Pharos	CHEMBL3781755
PubChem	6611008
ChEMBL	CHEMBL3781755

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.