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

Systemtic Name: [3-[3-[bis(azanyl)methylideneamino]oxypropoxy]-5-methyl-phenyl] benzenesulfonate Openeye Name: [3-(3-guanidinooxypropoxy)-5-methyl-phenyl] benzenesulfonate CAS Name: benzenesulfonic acid [3-[3-(diaminomethylideneamino)oxypropoxy]-5-methylphenyl] ester IUPAC Name: [3-[3-(diaminomethylideneamino)oxypropoxy]-5-methylphenyl] benzenesulfonate Traditional Name: benzenesulfonic acid [3-(3-guanidinooxypropoxy)-5-methyl-phenyl] ester Formula: C17H21N3O5S MolecularWeight: 379.43074

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21N3O5S/c1-13-10-14(23-8-5-9-24-20-17(18)19)12-15(11-13)25-26(21,22)16-6-3-2-4-7-16/h2-4,6-7,10-12H,5,8-9H2,1H3,(H4,18,19,20)