(4-quinoxalin-2-ylphenyl) 4-methylbenzenesulfonate

Systemtic Name: (4-quinoxalin-2-ylphenyl) 4-methylbenzenesulfonate Openeye Name: (4-quinoxalin-2-ylphenyl) 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [4-(2-quinoxalinyl)phenyl] ester IUPAC Name: (4-quinoxalin-2-ylphenyl) 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (4-quinoxalin-2-ylphenyl) 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=CC=C(C=C2)C3=NC4=CC=CC=C4N=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)C3=NC4=CC=CC=C4N=C3

InChI

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