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

Systemtic Name: (4-bromophenyl) 3-(3-oxidanylidenepiperazin-1-yl)sulfonylbenzoate Openeye Name: (4-bromophenyl) 3-(3-oxopiperazin-1-yl)sulfonylbenzoate CAS Name: 3-[(3-oxo-1-piperazinyl)sulfonyl]benzoic acid (4-bromophenyl) ester IUPAC Name: (4-bromophenyl) 3-(3-oxopiperazin-1-yl)sulfonylbenzoate Traditional Name: 3-(3-ketopiperazino)sulfonylbenzoic acid (4-bromophenyl) ester Formula: C17H15BrN2O5S MolecularWeight: 439.2804

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(=O)N1)S(=O)(=O)C2=CC=CC(=C2)C(=O)OC3=CC=C(C=C3)Br

Isomeric SMILES

C1CN(CC(=O)N1)S(=O)(=O)C2=CC=CC(=C2)C(=O)OC3=CC=C(C=C3)Br

InChI

InChI=1S/C17H15BrN2O5S/c18-13-4-6-14(7-5-13)25-17(22)12-2-1-3-15(10-12)26(23,24)20-9-8-19-16(21)11-20/h1-7,10H,8-9,11H2,(H,19,21)