[3-[3-[bis(azanyl)methylideneamino]oxypropoxy]-5-methyl-phenyl] 2-methoxybenzenesulfonate

Systemtic Name: [3-[3-[bis(azanyl)methylideneamino]oxypropoxy]-5-methyl-phenyl] 2-methoxybenzenesulfonate Openeye Name: [3-(3-guanidinooxypropoxy)-5-methyl-phenyl] 2-methoxybenzenesulfonate CAS Name: 2-methoxybenzenesulfonic acid [3-[3-(diaminomethylideneamino)oxypropoxy]-5-methylphenyl] ester IUPAC Name: [3-[3-(diaminomethylideneamino)oxypropoxy]-5-methylphenyl] 2-methoxybenzenesulfonate Traditional Name: 2-methoxybenzenesulfonic acid [3-(3-guanidinooxypropoxy)-5-methyl-phenyl] ester Formula: C18H23N3O6S MolecularWeight: 409.45672

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OS(=O)(=O)C2=CC=CC=C2OC)OCCCON=C(N)N

Isomeric SMILES

CC1=CC(=CC(=C1)OS(=O)(=O)C2=CC=CC=C2OC)OCCCON=C(N)N

InChI

InChI=1S/C18H23N3O6S/c1-13-10-14(25-8-5-9-26-21-18(19)20)12-15(11-13)27-28(22,23)17-7-4-3-6-16(17)24-2/h3-4,6-7,10-12H,5,8-9H2,1-2H3,(H4,19,20,21)