[2-(3-azanyloxypropoxy)-4-methyl-phenyl] 3-morpholin-2-ylsulfonylbenzenesulfonate

Systemtic Name: [2-(3-azanyloxypropoxy)-4-methyl-phenyl] 3-morpholin-2-ylsulfonylbenzenesulfonate Openeye Name: [2-(3-aminooxypropoxy)-4-methyl-phenyl] 3-morpholin-2-ylsulfonylbenzenesulfonate CAS Name: 3-(2-morpholinylsulfonyl)benzenesulfonic acid [2-(3-aminooxypropoxy)-4-methylphenyl] ester IUPAC Name: [2-(3-aminooxypropoxy)-4-methylphenyl] 3-morpholin-2-ylsulfonylbenzenesulfonate Traditional Name: 3-morpholin-2-ylsulfonylbenzenesulfonic acid [2-(3-aminooxypropoxy)-4-methyl-phenyl] ester Formula: C20H26N2O8S2 MolecularWeight: 486.55904

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H26N2O8S2/c1-15-6-7-18(19(12-15)27-9-3-10-29-21)30-32(25,26)17-5-2-4-16(13-17)31(23,24)20-14-22-8-11-28-20/h2,4-7,12-13,20,22H,3,8-11,14,21H2,1H3