1-(4-methoxyphenyl)sulfonyl-5-oxidanylidene-piperazine-2-carboxylic acid

Systemtic Name: 1-(4-methoxyphenyl)sulfonyl-5-oxidanylidene-piperazine-2-carboxylic acid Openeye Name: 1-(4-methoxyphenyl)sulfonyl-5-oxo-piperazine-2-carboxylic acid CAS Name: 1-(4-methoxyphenyl)sulfonyl-5-oxo-2-piperazinecarboxylic acid IUPAC Name: 1-(4-methoxyphenyl)sulfonyl-5-oxopiperazine-2-carboxylic acid Traditional Name: 5-keto-1-(4-methoxyphenyl)sulfonyl-piperazine-2-carboxylic acid Formula: C12H14N2O6S MolecularWeight: 314.31436

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)N2CC(=O)NCC2C(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)N2CC(=O)NCC2C(=O)O

InChI

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