O6J

N-(2-cyano-3-methyl-1H-indol-5-yl)pentane-1-sulfonamide

Created:	2019-06-12
Last modified:	2020-04-01

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1 entries where O6J is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	40
Chiral Atom Count	0
Bond Count	41
Aromatic Bond Count	10

2D diagram of O6J

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Chemical Component Summary
Name	N-(2-cyano-3-methyl-1H-indol-5-yl)pentane-1-sulfonamide
Systematic Name (OpenEye OEToolkits)	~{N}-(2-cyano-3-methyl-1~{H}-indol-5-yl)pentane-1-sulfonamide
Formula	C₁₅ H₁₉ N₃ O₂ S
Molecular Weight	305.395
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	c1(cc2c(cc1)nc(c2C)C#N)NS(CCCCC)(=O)=O
SMILES	CACTVS	3.385	CCCCC[S](=O)(=O)Nc1ccc2[nH]c(C#N)c(C)c2c1
SMILES	OpenEye OEToolkits	2.0.7	CCCCCS(=O)(=O)Nc1ccc2c(c1)c(c([nH]2)C#N)C
Canonical SMILES	CACTVS	3.385	CCCCC[S](=O)(=O)Nc1ccc2[nH]c(C#N)c(C)c2c1
Canonical SMILES	OpenEye OEToolkits	2.0.7	CCCCCS(=O)(=O)Nc1ccc2c(c1)c(c([nH]2)C#N)C
InChI	InChI	1.03	InChI=1S/C15H19N3O2S/c1-3-4-5-8-21(19,20)18-12-6-7-14-13(9-12)11(2)15(10-16)17-14/h6-7,9,17-18H,3-5,8H2,1-2H3
InChIKey	InChI	1.03	YSEFPNYCRCSWGW-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	137523323

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.