[3-[3-[bis(azanyl)methylideneamino]oxypropoxy]-5-methyl-phenyl] 2-morpholin-4-ylsulfonylbenzenesulfonate

Systemtic Name: [3-[3-[bis(azanyl)methylideneamino]oxypropoxy]-5-methyl-phenyl] 2-morpholin-4-ylsulfonylbenzenesulfonate Openeye Name: [3-(3-guanidinooxypropoxy)-5-methyl-phenyl] 2-morpholinosulfonylbenzenesulfonate CAS Name: 2-(4-morpholinylsulfonyl)benzenesulfonic acid [3-[3-(diaminomethylideneamino)oxypropoxy]-5-methylphenyl] ester IUPAC Name: [3-[3-(diaminomethylideneamino)oxypropoxy]-5-methylphenyl] 2-morpholin-4-ylsulfonylbenzenesulfonate Traditional Name: 2-morpholinosulfonylbenzenesulfonic acid [3-(3-guanidinooxypropoxy)-5-methyl-phenyl] ester Formula: C21H28N4O8S2 MolecularWeight: 528.59902

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OS(=O)(=O)C2=CC=CC=C2S(=O)(=O)N3CCOCC3)OCCCON=C(N)N

Isomeric SMILES

CC1=CC(=CC(=C1)OS(=O)(=O)C2=CC=CC=C2S(=O)(=O)N3CCOCC3)OCCCON=C(N)N

InChI

InChI=1S/C21H28N4O8S2/c1-16-13-17(31-9-4-10-32-24-21(22)23)15-18(14-16)33-35(28,29)20-6-3-2-5-19(20)34(26,27)25-7-11-30-12-8-25/h2-3,5-6,13-15H,4,7-12H2,1H3,(H4,22,23,24)