4-methyl-2-oxidanyl-5-(3-oxidanylidenepiperazin-1-yl)sulfonyl-benzoic acid

Systemtic Name: 4-methyl-2-oxidanyl-5-(3-oxidanylidenepiperazin-1-yl)sulfonyl-benzoic acid Openeye Name: 2-hydroxy-4-methyl-5-(3-oxopiperazin-1-yl)sulfonyl-benzoic acid CAS Name: 2-hydroxy-4-methyl-5-[(3-oxo-1-piperazinyl)sulfonyl]benzoic acid IUPAC Name: 2-hydroxy-4-methyl-5-(3-oxopiperazin-1-yl)sulfonylbenzoic acid Traditional Name: 2-hydroxy-5-(3-ketopiperazino)sulfonyl-4-methyl-benzoic acid Formula: C12H14N2O6S MolecularWeight: 314.31436

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C(=C1)O)C(=O)O)S(=O)(=O)N2CCNC(=O)C2

Isomeric SMILES

CC1=C(C=C(C(=C1)O)C(=O)O)S(=O)(=O)N2CCNC(=O)C2

InChI

InChI=1S/C12H14N2O6S/c1-7-4-9(15)8(12(17)18)5-10(7)21(19,20)14-3-2-13-11(16)6-14/h4-5,15H,2-3,6H2,1H3,(H,13,16)(H,17,18)