4-[(3-oxidanylidenepiperazin-1-yl)sulfonylmethyl]benzoic acid

Systemtic Name: 4-[(3-oxidanylidenepiperazin-1-yl)sulfonylmethyl]benzoic acid Openeye Name: 4-[(3-oxopiperazin-1-yl)sulfonylmethyl]benzoic acid CAS Name: 4-[(3-oxo-1-piperazinyl)sulfonylmethyl]benzoic acid IUPAC Name: 4-[(3-oxopiperazin-1-yl)sulfonylmethyl]benzoic acid Traditional Name: 4-[(3-ketopiperazino)sulfonylmethyl]benzoic acid Formula: C12H14N2O5S MolecularWeight: 298.31496

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(=O)N1)S(=O)(=O)CC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

C1CN(CC(=O)N1)S(=O)(=O)CC2=CC=C(C=C2)C(=O)O

InChI

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