8E1

4-{[(Z)-(7-oxo-6,7-dihydro-8H-[1,3]thiazolo[5,4-e]indol-8-ylidene)methyl]amino}benzene-1-sulfonamide

Created:	2017-01-26
Last modified:	2017-03-29

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1 entries where 8E1 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	37
Chiral Atom Count	0
Bond Count	40
Aromatic Bond Count	16

2D diagram of 8E1

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Chemical Component Summary
Name	4-{[(Z)-(7-oxo-6,7-dihydro-8H-[1,3]thiazolo[5,4-e]indol-8-ylidene)methyl]amino}benzene-1-sulfonamide
Systematic Name (OpenEye OEToolkits)	4-[[(~{Z})-(7-oxidanylidene-6~{H}-pyrrolo[2,3-g][1,3]benzothiazol-8-ylidene)methyl]amino]benzenesulfonamide
Formula	C₁₆ H₁₂ N₄ O₃ S₂
Molecular Weight	372.421
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	c1cc(ccc1S(=O)(=O)N)N\C=C4\c2c(ccc3ncsc23)NC4=O
SMILES	CACTVS	3.385	N[S](=O)(=O)c1ccc(NC=C2C(=O)Nc3ccc4ncsc4c23)cc1
SMILES	OpenEye OEToolkits	2.0.6	c1cc(ccc1NC=C2c3c(ccc4c3scn4)NC2=O)S(=O)(=O)N
Canonical SMILES	CACTVS	3.385	N[S](=O)(=O)c1ccc(N\C=C\2C(=O)Nc3ccc4ncsc4c\23)cc1
Canonical SMILES	OpenEye OEToolkits	2.0.6	c1cc(ccc1N/C=C\2/c3c(ccc4c3scn4)NC2=O)S(=O)(=O)N
InChI	InChI	1.03	InChI=1S/C16H12N4O3S2/c17-25(22,23)10-3-1-9(2-4-10)18-7-11-14-12(20-16(11)21)5-6-13-15(14)24-8-19-13/h1-8,18H,(H,20,21)(H2,17,22,23)/b11-7-
InChIKey	InChI	1.03	LTYGAJVXAFJKSY-XFFZJAGNSA-N

Related Resource References

Resource Name	Reference
PubChem	6539107

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.