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

Systemtic Name: [3-[(2-carbamimidoyl-1,2-oxazinan-5-yl)methoxy]-5-methyl-phenyl] 2-cyanobenzenesulfonate Openeye Name: [3-[(2-carbamimidoyloxazinan-5-yl)methoxy]-5-methyl-phenyl] 2-cyanobenzenesulfonate CAS Name: 2-cyanobenzenesulfonic acid [3-[(2-carbamimidoyl-5-oxazinanyl)methoxy]-5-methylphenyl] ester IUPAC Name: [3-[(2-carbamimidoyloxazinan-5-yl)methoxy]-5-methylphenyl] 2-cyanobenzenesulfonate Traditional Name: 2-cyanobenzenesulfonic acid [3-[(2-amidinooxazinan-5-yl)methoxy]-5-methyl-phenyl] ester Formula: C20H22N4O5S MolecularWeight: 430.47748

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OS(=O)(=O)C2=CC=CC=C2C#N)OCC3CCN(OC3)C(=N)N

Isomeric SMILES

CC1=CC(=CC(=C1)OS(=O)(=O)C2=CC=CC=C2C#N)OCC3CCN(OC3)C(=N)N

InChI

InChI=1S/C20H22N4O5S/c1-14-8-17(27-12-15-6-7-24(20(22)23)28-13-15)10-18(9-14)29-30(25,26)19-5-3-2-4-16(19)11-21/h2-5,8-10,15H,6-7,12-13H2,1H3,(H3,22,23)