(3-methylquinoxalin-2-yl)methyl 3-methylsulfonylbenzoate

Systemtic Name: (3-methylquinoxalin-2-yl)methyl 3-methylsulfonylbenzoate Openeye Name: (3-methylquinoxalin-2-yl)methyl 3-methylsulfonylbenzoate CAS Name: 3-methylsulfonylbenzoic acid (3-methyl-2-quinoxalinyl)methyl ester IUPAC Name: (3-methylquinoxalin-2-yl)methyl 3-methylsulfonylbenzoate Traditional Name: 3-mesylbenzoic acid (3-methylquinoxalin-2-yl)methyl ester Formula: C18H16N2O4S MolecularWeight: 356.39564

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2N=C1COC(=O)C3=CC(=CC=C3)S(=O)(=O)C

Isomeric SMILES

CC1=NC2=CC=CC=C2N=C1COC(=O)C3=CC(=CC=C3)S(=O)(=O)C

InChI

InChI=1S/C18H16N2O4S/c1-12-17(20-16-9-4-3-8-15(16)19-12)11-24-18(21)13-6-5-7-14(10-13)25(2,22)23/h3-10H,11H2,1-2H3