[3-[(2-carbamimidoyl-1,2-oxazinan-5-yl)methoxy]-5-methyl-phenyl] quinoline-8-sulfonate

Systemtic Name: [3-[(2-carbamimidoyl-1,2-oxazinan-5-yl)methoxy]-5-methyl-phenyl] quinoline-8-sulfonate Openeye Name: [3-[(2-carbamimidoyloxazinan-5-yl)methoxy]-5-methyl-phenyl] quinoline-8-sulfonate CAS Name: 8-quinolinesulfonic acid [3-[(2-carbamimidoyl-5-oxazinanyl)methoxy]-5-methylphenyl] ester IUPAC Name: [3-[(2-carbamimidoyloxazinan-5-yl)methoxy]-5-methylphenyl] quinoline-8-sulfonate Traditional Name: quinoline-8-sulfonic acid [3-[(2-amidinooxazinan-5-yl)methoxy]-5-methyl-phenyl] ester Formula: C22H24N4O5S MolecularWeight: 456.51476

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OS(=O)(=O)C2=CC=CC3=C2N=CC=C3)OCC4CCN(OC4)C(=N)N

Isomeric SMILES

CC1=CC(=CC(=C1)OS(=O)(=O)C2=CC=CC3=C2N=CC=C3)OCC4CCN(OC4)C(=N)N

InChI

InChI=1S/C22H24N4O5S/c1-15-10-18(29-13-16-7-9-26(22(23)24)30-14-16)12-19(11-15)31-32(27,28)20-6-2-4-17-5-3-8-25-21(17)20/h2-6,8,10-12,16H,7,9,13-14H2,1H3,(H3,23,24)