[3-(3-azanyloxypropoxy)-5-methyl-phenyl] 2-cyanobenzenesulfonate

Systemtic Name: [3-(3-azanyloxypropoxy)-5-methyl-phenyl] 2-cyanobenzenesulfonate Openeye Name: [3-(3-aminooxypropoxy)-5-methyl-phenyl] 2-cyanobenzenesulfonate CAS Name: 2-cyanobenzenesulfonic acid [3-(3-aminooxypropoxy)-5-methylphenyl] ester IUPAC Name: [3-(3-aminooxypropoxy)-5-methylphenyl] 2-cyanobenzenesulfonate Traditional Name: 2-cyanobenzenesulfonic acid [3-(3-aminooxypropoxy)-5-methyl-phenyl] ester Formula: C17H18N2O5S MolecularWeight: 362.40022

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OS(=O)(=O)C2=CC=CC=C2C#N)OCCCON

Isomeric SMILES

CC1=CC(=CC(=C1)OS(=O)(=O)C2=CC=CC=C2C#N)OCCCON

InChI

InChI=1S/C17H18N2O5S/c1-13-9-15(22-7-4-8-23-19)11-16(10-13)24-25(20,21)17-6-3-2-5-14(17)12-18/h2-3,5-6,9-11H,4,7-8,19H2,1H3