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

Systemtic Name: 1-ethyl-4-(3-oxidanylidenepiperazin-1-yl)sulfonyl-pyrrole-2-carboxylic acid Openeye Name: 1-ethyl-4-(3-oxopiperazin-1-yl)sulfonyl-pyrrole-2-carboxylic acid CAS Name: 1-ethyl-4-[(3-oxo-1-piperazinyl)sulfonyl]-2-pyrrolecarboxylic acid IUPAC Name: 1-ethyl-4-(3-oxopiperazin-1-yl)sulfonylpyrrole-2-carboxylic acid Traditional Name: 1-ethyl-4-(3-ketopiperazino)sulfonyl-pyrrole-2-carboxylic acid Formula: C11H15N3O5S MolecularWeight: 301.3189

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C=C1C(=O)O)S(=O)(=O)N2CCNC(=O)C2

Isomeric SMILES

CCN1C=C(C=C1C(=O)O)S(=O)(=O)N2CCNC(=O)C2

InChI

InChI=1S/C11H15N3O5S/c1-2-13-6-8(5-9(13)11(16)17)20(18,19)14-4-3-12-10(15)7-14/h5-6H,2-4,7H2,1H3,(H,12,15)(H,16,17)