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

Systemtic Name: [3-[3-[bis(azanyl)methylideneamino]oxypropoxy]-5-methyl-phenyl] 3-methylsulfonylbenzenesulfonate Openeye Name: [3-(3-guanidinooxypropoxy)-5-methyl-phenyl] 3-methylsulfonylbenzenesulfonate CAS Name: 3-methylsulfonylbenzenesulfonic acid [3-[3-(diaminomethylideneamino)oxypropoxy]-5-methylphenyl] ester IUPAC Name: [3-[3-(diaminomethylideneamino)oxypropoxy]-5-methylphenyl] 3-methylsulfonylbenzenesulfonate Traditional Name: 3-mesylbenzenesulfonic acid [3-(3-guanidinooxypropoxy)-5-methyl-phenyl] ester Formula: C18H23N3O7S2 MolecularWeight: 457.52112

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23N3O7S2/c1-13-9-14(26-7-4-8-27-21-18(19)20)11-15(10-13)28-30(24,25)17-6-3-5-16(12-17)29(2,22)23/h3,5-6,9-12H,4,7-8H2,1-2H3,(H4,19,20,21)