(3-methylquinoxalin-2-yl)methyl 2-methyl-5-methylsulfonyl-benzoate

Systemtic Name: (3-methylquinoxalin-2-yl)methyl 2-methyl-5-methylsulfonyl-benzoate Openeye Name: (3-methylquinoxalin-2-yl)methyl 2-methyl-5-methylsulfonyl-benzoate CAS Name: 2-methyl-5-methylsulfonylbenzoic acid (3-methyl-2-quinoxalinyl)methyl ester IUPAC Name: (3-methylquinoxalin-2-yl)methyl 2-methyl-5-methylsulfonylbenzoate Traditional Name: 5-mesyl-2-methyl-benzoic acid (3-methylquinoxalin-2-yl)methyl ester Formula: C19H18N2O4S MolecularWeight: 370.42222

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)C)C(=O)OCC2=NC3=CC=CC=C3N=C2C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)C)C(=O)OCC2=NC3=CC=CC=C3N=C2C

InChI

InChI=1S/C19H18N2O4S/c1-12-8-9-14(26(3,23)24)10-15(12)19(22)25-11-18-13(2)20-16-6-4-5-7-17(16)21-18/h4-10H,11H2,1-3H3