[3-(3-azanyloxypropoxy)-5-methyl-phenyl] 5-chloranyl-2-methoxy-benzenesulfonate

Systemtic Name: [3-(3-azanyloxypropoxy)-5-methyl-phenyl] 5-chloranyl-2-methoxy-benzenesulfonate Openeye Name: [3-(3-aminooxypropoxy)-5-methyl-phenyl] 5-chloro-2-methoxy-benzenesulfonate CAS Name: 5-chloro-2-methoxybenzenesulfonic acid [3-(3-aminooxypropoxy)-5-methylphenyl] ester IUPAC Name: [3-(3-aminooxypropoxy)-5-methylphenyl] 5-chloro-2-methoxybenzenesulfonate Traditional Name: 5-chloro-2-methoxy-benzenesulfonic acid [3-(3-aminooxypropoxy)-5-methyl-phenyl] ester Formula: C17H20ClNO6S MolecularWeight: 401.8618

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OS(=O)(=O)C2=C(C=CC(=C2)Cl)OC)OCCCON

Isomeric SMILES

CC1=CC(=CC(=C1)OS(=O)(=O)C2=C(C=CC(=C2)Cl)OC)OCCCON

InChI

InChI=1S/C17H20ClNO6S/c1-12-8-14(23-6-3-7-24-19)11-15(9-12)25-26(20,21)17-10-13(18)4-5-16(17)22-2/h4-5,8-11H,3,6-7,19H2,1-2H3