[3-[(2-carbamimidoyl-1,2-oxazinan-5-yl)methoxy]-5-methyl-phenyl] 2-methoxybenzenesulfonate

Systemtic Name: [3-[(2-carbamimidoyl-1,2-oxazinan-5-yl)methoxy]-5-methyl-phenyl] 2-methoxybenzenesulfonate Openeye Name: [3-[(2-carbamimidoyloxazinan-5-yl)methoxy]-5-methyl-phenyl] 2-methoxybenzenesulfonate CAS Name: 2-methoxybenzenesulfonic acid [3-[(2-carbamimidoyl-5-oxazinanyl)methoxy]-5-methylphenyl] ester IUPAC Name: [3-[(2-carbamimidoyloxazinan-5-yl)methoxy]-5-methylphenyl] 2-methoxybenzenesulfonate Traditional Name: 2-methoxybenzenesulfonic acid [3-[(2-amidinooxazinan-5-yl)methoxy]-5-methyl-phenyl] ester Formula: C20H25N3O6S MolecularWeight: 435.494

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OS(=O)(=O)C2=CC=CC=C2OC)OCC3CCN(OC3)C(=N)N

Isomeric SMILES

CC1=CC(=CC(=C1)OS(=O)(=O)C2=CC=CC=C2OC)OCC3CCN(OC3)C(=N)N

InChI

InChI=1S/C20H25N3O6S/c1-14-9-16(27-12-15-7-8-23(20(21)22)28-13-15)11-17(10-14)29-30(24,25)19-6-4-3-5-18(19)26-2/h3-6,9-11,15H,7-8,12-13H2,1-2H3,(H3,21,22)