[2-[3-[bis(azanyl)methylideneamino]oxypropoxy]-5-methyl-3-oxidanyl-phenyl] 2,4-bis(methylsulfonyl)benzenesulfonate

Systemtic Name: [2-[3-[bis(azanyl)methylideneamino]oxypropoxy]-5-methyl-3-oxidanyl-phenyl] 2,4-bis(methylsulfonyl)benzenesulfonate Openeye Name: [2-(3-guanidinooxypropoxy)-3-hydroxy-5-methyl-phenyl] 2,4-bis(methylsulfonyl)benzenesulfonate CAS Name: 2,4-bis(methylsulfonyl)benzenesulfonic acid [2-[3-(diaminomethylideneamino)oxypropoxy]-3-hydroxy-5-methylphenyl] ester IUPAC Name: [2-[3-(diaminomethylideneamino)oxypropoxy]-3-hydroxy-5-methylphenyl] 2,4-bis(methylsulfonyl)benzenesulfonate Traditional Name: 2,4-dimesylbenzenesulfonic acid [2-(3-guanidinooxypropoxy)-3-hydroxy-5-methyl-phenyl] ester Formula: C19H25N3O10S3 MolecularWeight: 551.6109

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H25N3O10S3/c1-12-9-14(23)18(30-7-4-8-31-22-19(20)21)15(10-12)32-35(28,29)16-6-5-13(33(2,24)25)11-17(16)34(3,26)27/h5-6,9-11,23H,4,7-8H2,1-3H3,(H4,20,21,22)