[3-[3-[bis(azanyl)methylideneamino]oxypropoxy]-5-methyl-phenyl] quinoline-8-sulfonate

Systemtic Name: [3-[3-[bis(azanyl)methylideneamino]oxypropoxy]-5-methyl-phenyl] quinoline-8-sulfonate Openeye Name: [3-(3-guanidinooxypropoxy)-5-methyl-phenyl] quinoline-8-sulfonate CAS Name: 8-quinolinesulfonic acid [3-[3-(diaminomethylideneamino)oxypropoxy]-5-methylphenyl] ester IUPAC Name: [3-[3-(diaminomethylideneamino)oxypropoxy]-5-methylphenyl] quinoline-8-sulfonate Traditional Name: quinoline-8-sulfonic acid [3-(3-guanidinooxypropoxy)-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=CC3=C2N=CC=C3)OCCCON=C(N)N

Isomeric SMILES

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

InChI

InChI=1S/C20H22N4O5S/c1-14-11-16(27-9-4-10-28-24-20(21)22)13-17(12-14)29-30(25,26)18-7-2-5-15-6-3-8-23-19(15)18/h2-3,5-8,11-13H,4,9-10H2,1H3,(H4,21,22,24)