1-quinoxalin-5-ylbutyl methanesulfonate

Systemtic Name: 1-quinoxalin-5-ylbutyl methanesulfonate Openeye Name: 1-quinoxalin-5-ylbutyl methanesulfonate CAS Name: methanesulfonic acid 1-(5-quinoxalinyl)butyl ester IUPAC Name: 1-quinoxalin-5-ylbutyl methanesulfonate Traditional Name: methanesulfonic acid 1-quinoxalin-5-ylbutyl ester Formula: C13H16N2O3S MolecularWeight: 280.34274

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1=C2C(=CC=C1)N=CC=N2)OS(=O)(=O)C

Isomeric SMILES

CCCC(C1=C2C(=CC=C1)N=CC=N2)OS(=O)(=O)C

InChI

InChI=1S/C13H16N2O3S/c1-3-5-12(18-19(2,16)17)10-6-4-7-11-13(10)15-9-8-14-11/h4,6-9,12H,3,5H2,1-2H3