[3-methyl-5-(3-oxidanylpropoxy)phenyl] 2-morpholin-2-ylsulfonylbenzenesulfonate

Systemtic Name: [3-methyl-5-(3-oxidanylpropoxy)phenyl] 2-morpholin-2-ylsulfonylbenzenesulfonate Openeye Name: [3-(3-hydroxypropoxy)-5-methyl-phenyl] 2-morpholin-2-ylsulfonylbenzenesulfonate CAS Name: 2-(2-morpholinylsulfonyl)benzenesulfonic acid [3-(3-hydroxypropoxy)-5-methylphenyl] ester IUPAC Name: [3-(3-hydroxypropoxy)-5-methylphenyl] 2-morpholin-2-ylsulfonylbenzenesulfonate Traditional Name: 2-morpholin-2-ylsulfonylbenzenesulfonic acid [3-(3-hydroxypropoxy)-5-methyl-phenyl] ester Formula: C20H25NO8S2 MolecularWeight: 471.5444

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OS(=O)(=O)C2=CC=CC=C2S(=O)(=O)C3CNCCO3)OCCCO

Isomeric SMILES

CC1=CC(=CC(=C1)OS(=O)(=O)C2=CC=CC=C2S(=O)(=O)C3CNCCO3)OCCCO

InChI

InChI=1S/C20H25NO8S2/c1-15-11-16(27-9-4-8-22)13-17(12-15)29-31(25,26)19-6-3-2-5-18(19)30(23,24)20-14-21-7-10-28-20/h2-3,5-6,11-13,20-22H,4,7-10,14H2,1H3