[3-[[1-(azanyloxymethyl)cyclopropyl]methoxy]-5-methyl-phenyl] 2-cyanobenzenesulfonate

Systemtic Name: [3-[[1-(azanyloxymethyl)cyclopropyl]methoxy]-5-methyl-phenyl] 2-cyanobenzenesulfonate Openeye Name: [3-[[1-(aminooxymethyl)cyclopropyl]methoxy]-5-methyl-phenyl] 2-cyanobenzenesulfonate CAS Name: 2-cyanobenzenesulfonic acid [3-[[1-(aminooxymethyl)cyclopropyl]methoxy]-5-methylphenyl] ester IUPAC Name: [3-[[1-(aminooxymethyl)cyclopropyl]methoxy]-5-methylphenyl] 2-cyanobenzenesulfonate Traditional Name: 2-cyanobenzenesulfonic acid [3-[[1-(aminooxymethyl)cyclopropyl]methoxy]-5-methyl-phenyl] ester Formula: C19H20N2O5S MolecularWeight: 388.4375

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OS(=O)(=O)C2=CC=CC=C2C#N)OCC3(CC3)CON

Isomeric SMILES

CC1=CC(=CC(=C1)OS(=O)(=O)C2=CC=CC=C2C#N)OCC3(CC3)CON

InChI

InChI=1S/C19H20N2O5S/c1-14-8-16(24-12-19(6-7-19)13-25-21)10-17(9-14)26-27(22,23)18-5-3-2-4-15(18)11-20/h2-5,8-10H,6-7,12-13,21H2,1H3