3W3

4-(allyloxy)benzenesulfonamide

Created:	2014-11-24
Last modified:	2021-03-01

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1 entries where 3W3 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	25
Chiral Atom Count	0
Bond Count	25
Aromatic Bond Count	6

2D diagram of 3W3

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Chemical Component Summary
Name	4-(allyloxy)benzenesulfonamide
Synonyms	4-(prop-2-en-1-yloxy)benzenesulfonamide
Systematic Name (OpenEye OEToolkits)	4-prop-2-enoxybenzenesulfonamide
Formula	C₉ H₁₁ N O₃ S
Molecular Weight	213.254
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=S(=O)(N)c1ccc(OC\C=C)cc1
SMILES	CACTVS	3.385	N[S](=O)(=O)c1ccc(OCC=C)cc1
SMILES	OpenEye OEToolkits	1.7.6	C=CCOc1ccc(cc1)S(=O)(=O)N
Canonical SMILES	CACTVS	3.385	N[S](=O)(=O)c1ccc(OCC=C)cc1
Canonical SMILES	OpenEye OEToolkits	1.7.6	C=CCOc1ccc(cc1)S(=O)(=O)N
InChI	InChI	1.03	InChI=1S/C9H11NO3S/c1-2-7-13-8-3-5-9(6-4-8)14(10,11)12/h2-6H,1,7H2,(H2,10,11,12)
InChIKey	InChI	1.03	OYORSBMGLVESSS-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
Pharos	CHEMBL3402960
PubChem	18668331
ChEMBL	CHEMBL3402960

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