[1-(3-iodanylpyridin-2-yl)-4-methoxy-pyrrolidin-3-yl] 3-nitrobenzenesulfonate

Systemtic Name: [1-(3-iodanylpyridin-2-yl)-4-methoxy-pyrrolidin-3-yl] 3-nitrobenzenesulfonate Openeye Name: [1-(3-iodo-2-pyridyl)-4-methoxy-pyrrolidin-3-yl] 3-nitrobenzenesulfonate CAS Name: 3-nitrobenzenesulfonic acid [1-(3-iodo-2-pyridinyl)-4-methoxy-3-pyrrolidinyl] ester IUPAC Name: [1-(3-iodopyridin-2-yl)-4-methoxypyrrolidin-3-yl] 3-nitrobenzenesulfonate Traditional Name: 3-nitrobenzenesulfonic acid [1-(3-iodo-2-pyridyl)-4-methoxy-pyrrolidin-3-yl] ester Formula: C16H16IN3O6S MolecularWeight: 505.28421

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1CN(CC1OS(=O)(=O)C2=CC=CC(=C2)[N+](=O)[O-])C3=C(C=CC=N3)I

Isomeric SMILES

COC1CN(CC1OS(=O)(=O)C2=CC=CC(=C2)[N+](=O)[O-])C3=C(C=CC=N3)I

InChI

InChI=1S/C16H16IN3O6S/c1-25-14-9-19(16-13(17)6-3-7-18-16)10-15(14)26-27(23,24)12-5-2-4-11(8-12)20(21)22/h2-8,14-15H,9-10H2,1H3