2-methoxy-5-(3-oxidanylidenepiperazin-1-yl)sulfonyl-benzoic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCNC(=O)C2)C(=O)O

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCNC(=O)C2)C(=O)O

InChI

InChI=1S/C12H14N2O6S/c1-20-10-3-2-8(6-9(10)12(16)17)21(18,19)14-5-4-13-11(15)7-14/h2-3,6H,4-5,7H2,1H3,(H,13,15)(H,16,17)