A9N

N-CYCLOPROP-2-EN-1-YL-5-(3,5-DIMETHYL-1,2-OXAZOL-4-YL)-2-METHYL-BENZENESULFONAMIDE

Created:	2011-11-26
Last modified:	2014-09-05

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1 entries where A9N is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	37
Chiral Atom Count	0
Bond Count	39
Aromatic Bond Count	11

2D diagram of A9N

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Chemical Component Summary
Name	N-CYCLOPROP-2-EN-1-YL-5-(3,5-DIMETHYL-1,2-OXAZOL-4-YL)-2-METHYL-BENZENESULFONAMIDE
Systematic Name (OpenEye OEToolkits)	N-cycloprop-2-en-1-yl-5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methyl-benzenesulfonamide
Formula	C₁₅ H₁₆ N₂ O₃ S
Molecular Weight	304.364
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=S(=O)(c2cc(c1c(onc1C)C)ccc2C)NC3C=C3
SMILES	CACTVS	3.385	Cc1onc(C)c1c2ccc(C)c(c2)[S](=O)(=O)NC3C=C3
SMILES	OpenEye OEToolkits	1.9.2	Cc1ccc(cc1S(=O)(=O)NC2C=C2)c3c(noc3C)C
Canonical SMILES	CACTVS	3.385	Cc1onc(C)c1c2ccc(C)c(c2)[S](=O)(=O)NC3C=C3
Canonical SMILES	OpenEye OEToolkits	1.9.2	Cc1ccc(cc1S(=O)(=O)NC2C=C2)c3c(noc3C)C
InChI	InChI	1.03	InChI=1S/C15H16N2O3S/c1-9-4-5-12(15-10(2)16-20-11(15)3)8-14(9)21(18,19)17-13-6-7-13/h4-8,13,17H,1-3H3
InChIKey	InChI	1.03	JZWYJVCNMUUCMM-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	72200779

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.