[(3R)-2-oxidanylidene-1,3,4,5-tetrahydro-1-benzazepin-3-yl] 4-nitrobenzenesulfonate

Systemtic Name: [(3R)-2-oxidanylidene-1,3,4,5-tetrahydro-1-benzazepin-3-yl] 4-nitrobenzenesulfonate Openeye Name: [(3R)-2-oxo-1,3,4,5-tetrahydro-1-benzazepin-3-yl] 4-nitrobenzenesulfonate CAS Name: 4-nitrobenzenesulfonic acid [(3R)-2-oxo-1,3,4,5-tetrahydro-1-benzazepin-3-yl] ester IUPAC Name: [(3R)-2-oxo-1,3,4,5-tetrahydro-1-benzazepin-3-yl] 4-nitrobenzenesulfonate Traditional Name: 4-nitrobenzenesulfonic acid [(3R)-2-keto-1,3,4,5-tetrahydro-1-benzazepin-3-yl] ester Formula: C16H14N2O6S MolecularWeight: 362.35716

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC2=CC=CC=C2NC(=O)C1OS(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1CC2=CC=CC=C2NC(=O)[C@@H]1OS(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H14N2O6S/c19-16-15(10-5-11-3-1-2-4-14(11)17-16)24-25(22,23)13-8-6-12(7-9-13)18(20)21/h1-4,6-9,15H,5,10H2,(H,17,19)/t15-/m1/s1