(4-ethanoylphenyl) 3-(3-oxidanylidenepiperazin-1-yl)sulfonylbenzoate

Systemtic Name: (4-ethanoylphenyl) 3-(3-oxidanylidenepiperazin-1-yl)sulfonylbenzoate Openeye Name: (4-acetylphenyl) 3-(3-oxopiperazin-1-yl)sulfonylbenzoate CAS Name: 3-[(3-oxo-1-piperazinyl)sulfonyl]benzoic acid (4-acetylphenyl) ester IUPAC Name: (4-acetylphenyl) 3-(3-oxopiperazin-1-yl)sulfonylbenzoate Traditional Name: 3-(3-ketopiperazino)sulfonylbenzoic acid (4-acetylphenyl) ester Formula: C19H18N2O6S MolecularWeight: 402.42102

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)OC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCNC(=O)C3

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)OC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCNC(=O)C3

InChI

InChI=1S/C19H18N2O6S/c1-13(22)14-5-7-16(8-6-14)27-19(24)15-3-2-4-17(11-15)28(25,26)21-10-9-20-18(23)12-21/h2-8,11H,9-10,12H2,1H3,(H,20,23)