7CT

~{N}-methylisoquinoline-5-sulfonamide

Created:	2016-10-05
Last modified:	2018-06-06

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2 entries where 7CT is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	25
Chiral Atom Count	0
Bond Count	26
Aromatic Bond Count	11

2D diagram of 7CT

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Chemical Component Summary
Name	~{N}-methylisoquinoline-5-sulfonamide
Systematic Name (OpenEye OEToolkits)	~{N}-methylisoquinoline-5-sulfonamide
Formula	C₁₀ H₁₀ N₂ O₂ S
Molecular Weight	222.264
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	CN[S](=O)(=O)c1cccc2cnccc12
SMILES	OpenEye OEToolkits	2.0.6	CNS(=O)(=O)c1cccc2c1ccnc2
Canonical SMILES	CACTVS	3.385	CN[S](=O)(=O)c1cccc2cnccc12
Canonical SMILES	OpenEye OEToolkits	2.0.6	CNS(=O)(=O)c1cccc2c1ccnc2
InChI	InChI	1.03	InChI=1S/C10H10N2O2S/c1-11-15(13,14)10-4-2-3-8-7-12-6-5-9(8)10/h2-7,11H,1H3
InChIKey	InChI	1.03	NZGWDNMCXFHPJD-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	13135510

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.