[2-oxidanylidene-3-[4-(N'-pyridin-3-ylcarbonylcarbamimidoyl)phenyl]-1,3-oxazolidin-5-yl]methyl methanesulfonate

Systemtic Name: [2-oxidanylidene-3-[4-(N'-pyridin-3-ylcarbonylcarbamimidoyl)phenyl]-1,3-oxazolidin-5-yl]methyl methanesulfonate Openeye Name: [2-oxo-3-[4-[N'-(pyridine-3-carbonyl)carbamimidoyl]phenyl]oxazolidin-5-yl]methyl methanesulfonate CAS Name: methanesulfonic acid [3-[4-[amino-[oxo(3-pyridinyl)methyl]iminomethyl]phenyl]-2-oxo-5-oxazolidinyl]methyl ester IUPAC Name: [2-oxo-3-[4-[N'-(pyridine-3-carbonyl)carbamimidoyl]phenyl]-1,3-oxazolidin-5-yl]methyl methanesulfonate Traditional Name: methanesulfonic acid [2-keto-3-[4-(N'-nicotinoylamidino)phenyl]oxazolidin-5-yl]methyl ester Formula: C18H18N4O6S MolecularWeight: 418.42372

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)OCC1CN(C(=O)O1)C2=CC=C(C=C2)C(=NC(=O)C3=CN=CC=C3)N

Isomeric SMILES

CS(=O)(=O)OCC1CN(C(=O)O1)C2=CC=C(C=C2)C(=NC(=O)C3=CN=CC=C3)N

InChI

InChI=1S/C18H18N4O6S/c1-29(25,26)27-11-15-10-22(18(24)28-15)14-6-4-12(5-7-14)16(19)21-17(23)13-3-2-8-20-9-13/h2-9,15H,10-11H2,1H3,(H2,19,21,23)