2-[4-(3-oxidanylidenepiperazin-1-yl)sulfonylphenyl]ethanoic acid

Systemtic Name: 2-[4-(3-oxidanylidenepiperazin-1-yl)sulfonylphenyl]ethanoic acid Openeye Name: 2-[4-(3-oxopiperazin-1-yl)sulfonylphenyl]acetic acid CAS Name: 2-[4-[(3-oxo-1-piperazinyl)sulfonyl]phenyl]acetic acid IUPAC Name: 2-[4-(3-oxopiperazin-1-yl)sulfonylphenyl]acetic acid Traditional Name: 2-[4-(3-ketopiperazino)sulfonylphenyl]acetic acid Formula: C12H14N2O5S MolecularWeight: 298.31496

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(=O)N1)S(=O)(=O)C2=CC=C(C=C2)CC(=O)O

Isomeric SMILES

C1CN(CC(=O)N1)S(=O)(=O)C2=CC=C(C=C2)CC(=O)O

InChI

InChI=1S/C12H14N2O5S/c15-11-8-14(6-5-13-11)20(18,19)10-3-1-9(2-4-10)7-12(16)17/h1-4H,5-8H2,(H,13,15)(H,16,17)