[2-(3-methoxypyrrolidin-1-yl)pyridin-3-yl] 3-nitrobenzenesulfonate

Systemtic Name: [2-(3-methoxypyrrolidin-1-yl)pyridin-3-yl] 3-nitrobenzenesulfonate Openeye Name: [2-(3-methoxypyrrolidin-1-yl)-3-pyridyl] 3-nitrobenzenesulfonate CAS Name: 3-nitrobenzenesulfonic acid [2-(3-methoxy-1-pyrrolidinyl)-3-pyridinyl] ester IUPAC Name: [2-(3-methoxypyrrolidin-1-yl)pyridin-3-yl] 3-nitrobenzenesulfonate Traditional Name: 3-nitrobenzenesulfonic acid [2-(3-methoxypyrrolidino)-3-pyridyl] ester Formula: C16H17N3O6S MolecularWeight: 379.38768

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Descriptors Computed from Structure

Canonical SMILES:

COC1CCN(C1)C2=C(C=CC=N2)OS(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

COC1CCN(C1)C2=C(C=CC=N2)OS(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H17N3O6S/c1-24-13-7-9-18(11-13)16-15(6-3-8-17-16)25-26(22,23)14-5-2-4-12(10-14)19(20)21/h2-6,8,10,13H,7,9,11H2,1H3