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

Systemtic Name: [3-[(2-carbamimidoyl-1,2-oxazinan-5-yl)methoxy]-5-methyl-phenyl] 5-chloranyl-2-methoxy-benzenesulfonate Openeye Name: [3-[(2-carbamimidoyloxazinan-5-yl)methoxy]-5-methyl-phenyl] 5-chloro-2-methoxy-benzenesulfonate CAS Name: 5-chloro-2-methoxybenzenesulfonic acid [3-[(2-carbamimidoyl-5-oxazinanyl)methoxy]-5-methylphenyl] ester IUPAC Name: [3-[(2-carbamimidoyloxazinan-5-yl)methoxy]-5-methylphenyl] 5-chloro-2-methoxybenzenesulfonate Traditional Name: 5-chloro-2-methoxy-benzenesulfonic acid [3-[(2-amidinooxazinan-5-yl)methoxy]-5-methyl-phenyl] ester Formula: C20H24ClN3O6S MolecularWeight: 469.93906

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24ClN3O6S/c1-13-7-16(28-11-14-5-6-24(20(22)23)29-12-14)10-17(8-13)30-31(25,26)19-9-15(21)3-4-18(19)27-2/h3-4,7-10,14H,5-6,11-12H2,1-2H3,(H3,22,23)