3-[4-(3-oxidanylidenepiperazin-1-yl)sulfonylphenyl]propanoate

Systemtic Name: 3-[4-(3-oxidanylidenepiperazin-1-yl)sulfonylphenyl]propanoate Openeye Name: 3-[4-(3-oxopiperazin-1-yl)sulfonylphenyl]propanoate CAS Name: 3-[4-[(3-oxo-1-piperazinyl)sulfonyl]phenyl]propanoate IUPAC Name: 3-[4-(3-oxopiperazin-1-yl)sulfonylphenyl]propanoate Traditional Name: 3-[4-(3-ketopiperazino)sulfonylphenyl]propionate Formula: C13H15N2O5S- MolecularWeight: 311.3336

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(=O)N1)S(=O)(=O)C2=CC=C(C=C2)CCC(=O)[O-]

Isomeric SMILES

C1CN(CC(=O)N1)S(=O)(=O)C2=CC=C(C=C2)CCC(=O)[O-]

InChI

InChI=1S/C13H16N2O5S/c16-12-9-15(8-7-14-12)21(19,20)11-4-1-10(2-5-11)3-6-13(17)18/h1-2,4-5H,3,6-9H2,(H,14,16)(H,17,18)/p-1