SXS

6-amino-1,2-benzothiazol-3(2H)-one 1,1-dioxide

Created:	2014-02-10
Last modified:	2014-04-16

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1 entries where SXS is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	19
Chiral Atom Count	0
Bond Count	20
Aromatic Bond Count	6

2D diagram of SXS

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Chemical Component Summary
Name	6-amino-1,2-benzothiazol-3(2H)-one 1,1-dioxide
Systematic Name (OpenEye OEToolkits)	6-azanyl-1,1-bis(oxidanylidene)-1,2-benzothiazol-3-one
Formula	C₇ H₆ N₂ O₃ S
Molecular Weight	198.199
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C2c1ccc(cc1S(=O)(=O)N2)N
SMILES	CACTVS	3.385	Nc1ccc2C(=O)N[S](=O)(=O)c2c1
SMILES	OpenEye OEToolkits	1.7.6	c1cc2c(cc1N)S(=O)(=O)NC2=O
Canonical SMILES	CACTVS	3.385	Nc1ccc2C(=O)N[S](=O)(=O)c2c1
Canonical SMILES	OpenEye OEToolkits	1.7.6	c1cc2c(cc1N)S(=O)(=O)NC2=O
InChI	InChI	1.03	InChI=1S/C7H6N2O3S/c8-4-1-2-5-6(3-4)13(11,12)9-7(5)10/h1-3H,8H2,(H,9,10)
InChIKey	InChI	1.03	SSRKZHLPNHLAKM-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
Pharos	CHEMBL2016952
PubChem	64789
ChEMBL	CHEMBL2016952

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