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

Systemtic Name: [3-[3-[bis(azanyl)methylideneamino]oxypropoxy]-5-methyl-phenyl] 2-morpholin-2-ylsulfonylbenzenesulfonate Openeye Name: [3-(3-guanidinooxypropoxy)-5-methyl-phenyl] 2-morpholin-2-ylsulfonylbenzenesulfonate CAS Name: 2-(2-morpholinylsulfonyl)benzenesulfonic acid [3-[3-(diaminomethylideneamino)oxypropoxy]-5-methylphenyl] ester IUPAC Name: [3-[3-(diaminomethylideneamino)oxypropoxy]-5-methylphenyl] 2-morpholin-2-ylsulfonylbenzenesulfonate Traditional Name: 2-morpholin-2-ylsulfonylbenzenesulfonic 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)C3CNCCO3)OCCCON=C(N)N

Isomeric SMILES

CC1=CC(=CC(=C1)OS(=O)(=O)C2=CC=CC=C2S(=O)(=O)C3CNCCO3)OCCCON=C(N)N

InChI

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