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

Systemtic Name: [3-[3-[bis(azanyl)methylideneamino]oxypropoxy]-5-methyl-phenyl] 2-chloranyl-4-methylsulfonyl-benzenesulfonate Openeye Name: [3-(3-guanidinooxypropoxy)-5-methyl-phenyl] 2-chloro-4-methylsulfonyl-benzenesulfonate CAS Name: 2-chloro-4-methylsulfonylbenzenesulfonic acid [3-[3-(diaminomethylideneamino)oxypropoxy]-5-methylphenyl] ester IUPAC Name: [3-[3-(diaminomethylideneamino)oxypropoxy]-5-methylphenyl] 2-chloro-4-methylsulfonylbenzenesulfonate Traditional Name: 2-chloro-4-mesyl-benzenesulfonic acid [3-(3-guanidinooxypropoxy)-5-methyl-phenyl] ester Formula: C18H22ClN3O7S2 MolecularWeight: 491.96618

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22ClN3O7S2/c1-12-8-13(27-6-3-7-28-22-18(20)21)10-14(9-12)29-31(25,26)17-5-4-15(11-16(17)19)30(2,23)24/h4-5,8-11H,3,6-7H2,1-2H3,(H4,20,21,22)