4-(3-oxidanylidenepiperazin-1-yl)sulfonyl-1H-pyrrole-2-carboxylic acid

Systemtic Name: 4-(3-oxidanylidenepiperazin-1-yl)sulfonyl-1H-pyrrole-2-carboxylic acid Openeye Name: 4-(3-oxopiperazin-1-yl)sulfonyl-1H-pyrrole-2-carboxylic acid CAS Name: 4-[(3-oxo-1-piperazinyl)sulfonyl]-1H-pyrrole-2-carboxylic acid IUPAC Name: 4-(3-oxopiperazin-1-yl)sulfonyl-1H-pyrrole-2-carboxylic acid Traditional Name: 4-(3-ketopiperazino)sulfonyl-1H-pyrrole-2-carboxylic acid Formula: C9H11N3O5S MolecularWeight: 273.26574

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(=O)N1)S(=O)(=O)C2=CNC(=C2)C(=O)O

Isomeric SMILES

C1CN(CC(=O)N1)S(=O)(=O)C2=CNC(=C2)C(=O)O

InChI

InChI=1S/C9H11N3O5S/c13-8-5-12(2-1-10-8)18(16,17)6-3-7(9(14)15)11-4-6/h3-4,11H,1-2,5H2,(H,10,13)(H,14,15)