(4-chloranylnaphthalen-1-yl) 2-[3-(4-nitrophenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanesulfonate

Systemtic Name: (4-chloranylnaphthalen-1-yl) 2-[3-(4-nitrophenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanesulfonate Openeye Name: (4-chloro-1-naphthyl) 2-[3-(4-nitrophenyl)-4-oxo-quinazolin-2-yl]sulfanylethanesulfonate CAS Name: 2-[[3-(4-nitrophenyl)-4-oxo-2-quinazolinyl]thio]ethanesulfonic acid (4-chloro-1-naphthalenyl) ester IUPAC Name: (4-chloronaphthalen-1-yl) 2-[3-(4-nitrophenyl)-4-oxoquinazolin-2-yl]sulfanylethanesulfonate Traditional Name: 2-[[4-keto-3-(4-nitrophenyl)quinazolin-2-yl]thio]ethanesulfonic acid (4-chloro-1-naphthyl) ester Formula: C26H18ClN3O6S2 MolecularWeight: 568.02062

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CC=C2Cl)OS(=O)(=O)CCSC3=NC4=CC=CC=C4C(=O)N3C5=CC=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=CC=C2Cl)OS(=O)(=O)CCSC3=NC4=CC=CC=C4C(=O)N3C5=CC=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C26H18ClN3O6S2/c27-22-13-14-24(20-6-2-1-5-19(20)22)36-38(34,35)16-15-37-26-28-23-8-4-3-7-21(23)25(31)29(26)17-9-11-18(12-10-17)30(32)33/h1-14H,15-16H2