propan-2-yl 3-azido-3-methyl-1-phenyl-butane-1-sulfonate

Systemtic Name: propan-2-yl 3-azido-3-methyl-1-phenyl-butane-1-sulfonate Openeye Name: isopropyl 3-azido-3-methyl-1-phenyl-butane-1-sulfonate CAS Name: 3-azido-3-methyl-1-phenyl-1-butanesulfonic acid IUPAC Name: propan-2-yl 3-azido-3-methyl-1-phenylbutane-1-sulfonate Traditional Name: 3-azido-3-methyl-1-phenyl-butane-1-sulfonic acid isopropyl ester Formula: C14H21N3O3S MolecularWeight: 311.39984

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)OS(=O)(=O)C(CC(C)(C)N=[N+]=[N-])C1=CC=CC=C1

Isomeric SMILES

CC(C)OS(=O)(=O)C(CC(C)(C)N=[N+]=[N-])C1=CC=CC=C1

InChI

InChI=1S/C14H21N3O3S/c1-11(2)20-21(18,19)13(10-14(3,4)16-17-15)12-8-6-5-7-9-12/h5-9,11,13H,10H2,1-4H3