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

Systemtic Name: [3-[(2-carbamimidoyl-1,2-oxazinan-5-yl)methoxy]-5-methyl-phenyl] 5-chloranylthiophene-2-sulfonate Openeye Name: [3-[(2-carbamimidoyloxazinan-5-yl)methoxy]-5-methyl-phenyl] 5-chlorothiophene-2-sulfonate CAS Name: 5-chloro-2-thiophenesulfonic acid [3-[(2-carbamimidoyl-5-oxazinanyl)methoxy]-5-methylphenyl] ester IUPAC Name: [3-[(2-carbamimidoyloxazinan-5-yl)methoxy]-5-methylphenyl] 5-chlorothiophene-2-sulfonate Traditional Name: 5-chlorothiophene-2-sulfonic acid [3-[(2-amidinooxazinan-5-yl)methoxy]-5-methyl-phenyl] ester Formula: C17H20ClN3O5S2 MolecularWeight: 445.9408

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OS(=O)(=O)C2=CC=C(S2)Cl)OCC3CCN(OC3)C(=N)N

Isomeric SMILES

CC1=CC(=CC(=C1)OS(=O)(=O)C2=CC=C(S2)Cl)OCC3CCN(OC3)C(=N)N

InChI

InChI=1S/C17H20ClN3O5S2/c1-11-6-13(24-9-12-4-5-21(17(19)20)25-10-12)8-14(7-11)26-28(22,23)16-3-2-15(18)27-16/h2-3,6-8,12H,4-5,9-10H2,1H3,(H3,19,20)