[3-[carbamimidoyl(propoxy)amino]oxy-5-methyl-phenyl] 2-morpholin-2-ylsulfonylbenzenesulfonate

Systemtic Name: [3-[carbamimidoyl(propoxy)amino]oxy-5-methyl-phenyl] 2-morpholin-2-ylsulfonylbenzenesulfonate Openeye Name: [3-[carbamimidoyl(propoxy)amino]oxy-5-methyl-phenyl] 2-morpholin-2-ylsulfonylbenzenesulfonate CAS Name: 2-(2-morpholinylsulfonyl)benzenesulfonic acid [3-[carbamimidoyl(propoxy)amino]oxy-5-methylphenyl] ester IUPAC Name: [3-[carbamimidoyl(propoxy)amino]oxy-5-methylphenyl] 2-morpholin-2-ylsulfonylbenzenesulfonate Traditional Name: 2-morpholin-2-ylsulfonylbenzenesulfonic acid [3-[amidino(propoxy)amino]oxy-5-methyl-phenyl] ester Formula: C21H28N4O8S2 MolecularWeight: 528.59902

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Descriptors Computed from Structure

Canonical SMILES:

CCCON(C(=N)N)OC1=CC(=CC(=C1)C)OS(=O)(=O)C2=CC=CC=C2S(=O)(=O)C3CNCCO3

Isomeric SMILES

CCCON(C(=N)N)OC1=CC(=CC(=C1)C)OS(=O)(=O)C2=CC=CC=C2S(=O)(=O)C3CNCCO3

InChI

InChI=1S/C21H28N4O8S2/c1-3-9-31-25(21(22)23)32-16-11-15(2)12-17(13-16)33-35(28,29)19-7-5-4-6-18(19)34(26,27)20-14-24-8-10-30-20/h4-7,11-13,20,24H,3,8-10,14H2,1-2H3,(H3,22,23)