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

Systemtic Name: (3-methylquinoxalin-2-yl)methyl 2-chloranyl-5-methylsulfonyl-benzoate Openeye Name: (3-methylquinoxalin-2-yl)methyl 2-chloro-5-methylsulfonyl-benzoate CAS Name: 2-chloro-5-methylsulfonylbenzoic acid (3-methyl-2-quinoxalinyl)methyl ester IUPAC Name: (3-methylquinoxalin-2-yl)methyl 2-chloro-5-methylsulfonylbenzoate Traditional Name: 2-chloro-5-mesyl-benzoic acid (3-methylquinoxalin-2-yl)methyl ester Formula: C18H15ClN2O4S MolecularWeight: 390.8407

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H15ClN2O4S/c1-11-17(21-16-6-4-3-5-15(16)20-11)10-25-18(22)13-9-12(26(2,23)24)7-8-14(13)19/h3-9H,10H2,1-2H3