[3-[(2-carbamimidoyl-1,2-oxazinan-5-yl)methoxy]-5-chloranyl-phenyl] 2-methylsulfonylbenzenesulfonate

Systemtic Name: [3-[(2-carbamimidoyl-1,2-oxazinan-5-yl)methoxy]-5-chloranyl-phenyl] 2-methylsulfonylbenzenesulfonate Openeye Name: [3-[(2-carbamimidoyloxazinan-5-yl)methoxy]-5-chloro-phenyl] 2-methylsulfonylbenzenesulfonate CAS Name: 2-methylsulfonylbenzenesulfonic acid [3-[(2-carbamimidoyl-5-oxazinanyl)methoxy]-5-chlorophenyl] ester IUPAC Name: [3-[(2-carbamimidoyloxazinan-5-yl)methoxy]-5-chlorophenyl] 2-methylsulfonylbenzenesulfonate Traditional Name: 2-mesylbenzenesulfonic acid [3-[(2-amidinooxazinan-5-yl)methoxy]-5-chloro-phenyl] ester Formula: C19H22ClN3O7S2 MolecularWeight: 503.97688

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=CC=C1S(=O)(=O)OC2=CC(=CC(=C2)OCC3CCN(OC3)C(=N)N)Cl

Isomeric SMILES

CS(=O)(=O)C1=CC=CC=C1S(=O)(=O)OC2=CC(=CC(=C2)OCC3CCN(OC3)C(=N)N)Cl

InChI

InChI=1S/C19H22ClN3O7S2/c1-31(24,25)17-4-2-3-5-18(17)32(26,27)30-16-9-14(20)8-15(10-16)28-11-13-6-7-23(19(21)22)29-12-13/h2-5,8-10,13H,6-7,11-12H2,1H3,(H3,21,22)