Chemical Components in the PDB

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N7J : Summary

Code

N7J

One-letter code

X

Molecule name

(2Z)-2-(hydroxyimino)-2,3-dihydro-1,3-benzoxazole-5-sulfonamide

Systematic names

ProgramVersionName
ACDLabs 12.01 (2Z)-2-(hydroxyimino)-2,3-dihydro-1,3-benzoxazole-5-sulfonamide
OpenEye OEToolkits 2.0.7 2-hydroxyimino-3~{H}-1,3-benzoxazole-5-sulfonamide

Formula

C7 H7 N3 O4 S

Formal charge

0

Molecular weight

229.213 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 c1c(ccc2c1N/C(O2)=N/O)S(=O)(=O)N
SMILES CACTVS 3.385 N[S](=O)(=O)c1ccc2OC(Nc2c1)=NO
SMILES OpenEye OEToolkits 2.0.7 c1cc2c(cc1S(=O)(=O)N)NC(=NO)O2
Canonical SMILES CACTVS 3.385 N[S](=O)(=O)c1ccc2OC(\Nc2c1)=N/O
Canonical SMILES OpenEye OEToolkits 2.0.7 c1cc2c(cc1S(=O)(=O)N)NC(=NO)O2

IUPAC InChI

InChI=1S/C7H7N3O4S/c8-15(12,13)4-1-2-6-5(3-4)9-7(10-11)14-6/h1-3,11H,(H,9,10)(H2,8,12,13)

IUPAC InChI key

LFVGWDIBDCWZBB-UHFFFAOYSA-N
N7J

wwPDB Information

Atom count

22 (15 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2019-05-06

Last modified at

2020-05-01

Status

Released

Obsoleted

Not Assigned