[3-[(E)-2-azanyloxyhex-1-enyl]-2-pyridin-3-yl-phenyl]methyl methanesulfonate

Systemtic Name: [3-[(E)-2-azanyloxyhex-1-enyl]-2-pyridin-3-yl-phenyl]methyl methanesulfonate Openeye Name: [3-[(E)-2-aminooxyhex-1-enyl]-2-(3-pyridyl)phenyl]methyl methanesulfonate CAS Name: methanesulfonic acid [3-[(E)-2-aminooxyhex-1-enyl]-2-(3-pyridinyl)phenyl]methyl ester IUPAC Name: [3-[(E)-2-aminooxyhex-1-enyl]-2-pyridin-3-ylphenyl]methyl methanesulfonate Traditional Name: methanesulfonic acid [3-[(E)-2-aminooxyhex-1-enyl]-2-(3-pyridyl)benzyl] ester Formula: C19H24N2O4S MolecularWeight: 376.46986

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=CC1=C(C(=CC=C1)COS(=O)(=O)C)C2=CN=CC=C2)ON

Isomeric SMILES

CCCC/C(=C\C1=C(C(=CC=C1)COS(=O)(=O)C)C2=CN=CC=C2)/ON

InChI

InChI=1S/C19H24N2O4S/c1-3-4-10-18(25-20)12-15-7-5-8-17(14-24-26(2,22)23)19(15)16-9-6-11-21-13-16/h5-9,11-13H,3-4,10,14,20H2,1-2H3/b18-12+