ISDA: 9SON

Atom Indices

Bond Indices

Highlight Substructure

Structural Complex

Chemical ID: A1JO4

IUPAC Name: benzenesulfonimidamide

Formal Charge: 0

Type: non-polymer

Substructure

Substruture Type: MurckoScaffold

SMILES: c1ccccc1

InChI: InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H

InChI Key: UHOVQNZJYSORNB-UHFFFAOYSA-N

Physiochemical Descriptor:

Formula: C6 H8 N2 O S

Molecular weight: 156.206

Hydrogen Bond Acceptor: 2

Hydrogen Bond Donor: 2

Rotatable Bonds: 2

Heavy Atoms: 10

Systematic name

Program	Version	Descriptor
OpenEye OEToolkits	2.0.7	(azanylsulfonimidoyl)benzene

Chemical Descriptors

Type	Program	Version	Descriptor
InChI	InChI	1.06	InChI=1S/C6H8N2OS/c7-10(8,9)6-4-2-1-3-5-6/h1-5H,(H3,7,8,9)
InChIKey	InChI	1.06	WXBRXIHIUCXZGZ-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	N[S@@](=N)(=O)c1ccccc1
SMILES	CACTVS	3.385	N[S](=N)(=O)c1ccccc1
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	c1ccc(cc1)[S@](=N)(=O)N
SMILES	OpenEye OEToolkits	2.0.7	c1ccc(cc1)S(=N)(=O)N