3-[(1-oxidanidylpyridin-1-ium-2-yl)-phenylmethoxycarbonyl-amino]propyl methanesulfonate

Systemtic Name: 3-[(1-oxidanidylpyridin-1-ium-2-yl)-phenylmethoxycarbonyl-amino]propyl methanesulfonate Openeye Name: 3-[benzyloxycarbonyl-(1-oxidopyridin-1-ium-2-yl)amino]propyl methanesulfonate CAS Name: methanesulfonic acid 3-[(1-oxido-2-pyridin-1-iumyl)-phenylmethoxycarbonylamino]propyl ester IUPAC Name: 3-[(1-oxidopyridin-1-ium-2-yl)-phenylmethoxycarbonylamino]propyl methanesulfonate Traditional Name: methanesulfonic acid 3-[carbobenzoxy-(1-oxidopyridin-1-ium-2-yl)amino]propyl ester Formula: C17H20N2O6S MolecularWeight: 380.4155

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)OCCCN(C1=CC=CC=[N+]1[O-])C(=O)OCC2=CC=CC=C2

Isomeric SMILES

CS(=O)(=O)OCCCN(C1=CC=CC=[N+]1[O-])C(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C17H20N2O6S/c1-26(22,23)25-13-7-11-18(16-10-5-6-12-19(16)21)17(20)24-14-15-8-3-2-4-9-15/h2-6,8-10,12H,7,11,13-14H2,1H3