[(1S)-1-(4-oxidanylidene-1H-quinazolin-2-yl)ethyl] 2-[(3-nitrophenyl)sulfonylamino]benzoate

Systemtic Name: [(1S)-1-(4-oxidanylidene-1H-quinazolin-2-yl)ethyl] 2-[(3-nitrophenyl)sulfonylamino]benzoate Openeye Name: [(1S)-1-(4-oxo-1H-quinazolin-2-yl)ethyl] 2-[(3-nitrophenyl)sulfonylamino]benzoate CAS Name: 2-[(3-nitrophenyl)sulfonylamino]benzoic acid [(1S)-1-(4-oxo-1H-quinazolin-2-yl)ethyl] ester IUPAC Name: [(1S)-1-(4-oxo-1H-quinazolin-2-yl)ethyl] 2-[(3-nitrophenyl)sulfonylamino]benzoate Traditional Name: 2-[(3-nitrophenyl)sulfonylamino]benzoic acid [(1S)-1-(4-keto-1H-quinazolin-2-yl)ethyl] ester Formula: C23H18N4O7S MolecularWeight: 494.47662

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC(=O)C2=CC=CC=C2N1)OC(=O)C3=CC=CC=C3NS(=O)(=O)C4=CC=CC(=C4)[N+](=O)[O-]

Isomeric SMILES

C[C@@H](C1=NC(=O)C2=CC=CC=C2N1)OC(=O)C3=CC=CC=C3NS(=O)(=O)C4=CC=CC(=C4)[N+](=O)[O-]

InChI

InChI=1S/C23H18N4O7S/c1-14(21-24-19-11-4-2-9-17(19)22(28)25-21)34-23(29)18-10-3-5-12-20(18)26-35(32,33)16-8-6-7-15(13-16)27(30)31/h2-14,26H,1H3,(H,24,25,28)/t14-/m0/s1