4-[2-(4-oxidanylidenequinazolin-3-yl)ethanoylamino]benzenesulfonate

Systemtic Name: 4-[2-(4-oxidanylidenequinazolin-3-yl)ethanoylamino]benzenesulfonate Openeye Name: 4-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]benzenesulfonate CAS Name: 4-[[1-oxo-2-(4-oxo-3-quinazolinyl)ethyl]amino]benzenesulfonate IUPAC Name: 4-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]benzenesulfonate Traditional Name: 4-[[2-(4-ketoquinazolin-3-yl)acetyl]amino]besylate Formula: C16H12N3O5S- MolecularWeight: 358.34858

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C=N2)CC(=O)NC3=CC=C(C=C3)S(=O)(=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C=N2)CC(=O)NC3=CC=C(C=C3)S(=O)(=O)[O-]

InChI

InChI=1S/C16H13N3O5S/c20-15(18-11-5-7-12(8-6-11)25(22,23)24)9-19-10-17-14-4-2-1-3-13(14)16(19)21/h1-8,10H,9H2,(H,18,20)(H,22,23,24)/p-1