(3,5,6-trimethylpyrazin-2-yl)methyl 4-methylbenzenesulfonate

Systemtic Name: (3,5,6-trimethylpyrazin-2-yl)methyl 4-methylbenzenesulfonate Openeye Name: (3,5,6-trimethylpyrazin-2-yl)methyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (3,5,6-trimethyl-2-pyrazinyl)methyl ester IUPAC Name: (3,5,6-trimethylpyrazin-2-yl)methyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (3,5,6-trimethylpyrazin-2-yl)methyl ester Formula: C15H18N2O3S MolecularWeight: 306.38002

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC2=NC(=C(N=C2C)C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCC2=NC(=C(N=C2C)C)C

InChI

InChI=1S/C15H18N2O3S/c1-10-5-7-14(8-6-10)21(18,19)20-9-15-13(4)16-11(2)12(3)17-15/h5-8H,9H2,1-4H3