2,5-dimethyl-4-(3-oxidanylidenepiperazin-1-yl)sulfonyl-furan-3-carboxylic acid

Systemtic Name: 2,5-dimethyl-4-(3-oxidanylidenepiperazin-1-yl)sulfonyl-furan-3-carboxylic acid Openeye Name: 2,5-dimethyl-4-(3-oxopiperazin-1-yl)sulfonyl-furan-3-carboxylic acid CAS Name: 2,5-dimethyl-4-[(3-oxo-1-piperazinyl)sulfonyl]-3-furancarboxylic acid IUPAC Name: 2,5-dimethyl-4-(3-oxopiperazin-1-yl)sulfonylfuran-3-carboxylic acid Traditional Name: 4-(3-ketopiperazino)sulfonyl-2,5-dimethyl-3-furoic acid Formula: C11H14N2O6S MolecularWeight: 302.30366

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(O1)C)S(=O)(=O)N2CCNC(=O)C2)C(=O)O

Isomeric SMILES

CC1=C(C(=C(O1)C)S(=O)(=O)N2CCNC(=O)C2)C(=O)O

InChI

InChI=1S/C11H14N2O6S/c1-6-9(11(15)16)10(7(2)19-6)20(17,18)13-4-3-12-8(14)5-13/h3-5H2,1-2H3,(H,12,14)(H,15,16)