[3-[3-[bis(azanyl)methylideneamino]oxypropoxy]-5-chloranyl-phenyl] 2-methylsulfonylbenzenesulfonate

Systemtic Name: [3-[3-[bis(azanyl)methylideneamino]oxypropoxy]-5-chloranyl-phenyl] 2-methylsulfonylbenzenesulfonate Openeye Name: [3-chloro-5-(3-guanidinooxypropoxy)phenyl] 2-methylsulfonylbenzenesulfonate CAS Name: 2-methylsulfonylbenzenesulfonic acid [3-chloro-5-[3-(diaminomethylideneamino)oxypropoxy]phenyl] ester IUPAC Name: [3-chloro-5-[3-(diaminomethylideneamino)oxypropoxy]phenyl] 2-methylsulfonylbenzenesulfonate Traditional Name: 2-mesylbenzenesulfonic acid [3-chloro-5-(3-guanidinooxypropoxy)phenyl] ester Formula: C17H20ClN3O7S2 MolecularWeight: 477.9396

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=CC=C1S(=O)(=O)OC2=CC(=CC(=C2)OCCCON=C(N)N)Cl

Isomeric SMILES

CS(=O)(=O)C1=CC=CC=C1S(=O)(=O)OC2=CC(=CC(=C2)OCCCON=C(N)N)Cl

InChI

InChI=1S/C17H20ClN3O7S2/c1-29(22,23)15-5-2-3-6-16(15)30(24,25)28-14-10-12(18)9-13(11-14)26-7-4-8-27-21-17(19)20/h2-3,5-6,9-11H,4,7-8H2,1H3,(H4,19,20,21)