(3-phenylquinoxalin-2-yl) 4-methylbenzenesulfonate

Systemtic Name: (3-phenylquinoxalin-2-yl) 4-methylbenzenesulfonate Openeye Name: (3-phenylquinoxalin-2-yl) 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (3-phenyl-2-quinoxalinyl) ester IUPAC Name: (3-phenylquinoxalin-2-yl) 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (3-phenylquinoxalin-2-yl) ester Formula: C21H16N2O3S MolecularWeight: 376.42834

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=NC3=CC=CC=C3N=C2C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=NC3=CC=CC=C3N=C2C4=CC=CC=C4

InChI

InChI=1S/C21H16N2O3S/c1-15-11-13-17(14-12-15)27(24,25)26-21-20(16-7-3-2-4-8-16)22-18-9-5-6-10-19(18)23-21/h2-14H,1H3