(3-quinoxalin-2-ylphenyl) 4-[(4-methylphenyl)sulfonylmethyl]benzoate

Systemtic Name: (3-quinoxalin-2-ylphenyl) 4-[(4-methylphenyl)sulfonylmethyl]benzoate Openeye Name: (3-quinoxalin-2-ylphenyl) 4-(p-tolylsulfonylmethyl)benzoate CAS Name: 4-[(4-methylphenyl)sulfonylmethyl]benzoic acid [3-(2-quinoxalinyl)phenyl] ester IUPAC Name: (3-quinoxalin-2-ylphenyl) 4-[(4-methylphenyl)sulfonylmethyl]benzoate Traditional Name: 4-(tosylmethyl)benzoic acid (3-quinoxalin-2-ylphenyl) ester Formula: C29H22N2O4S MolecularWeight: 494.56098

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)CC2=CC=C(C=C2)C(=O)OC3=CC=CC(=C3)C4=NC5=CC=CC=C5N=C4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)CC2=CC=C(C=C2)C(=O)OC3=CC=CC(=C3)C4=NC5=CC=CC=C5N=C4

InChI

InChI=1S/C29H22N2O4S/c1-20-9-15-25(16-10-20)36(33,34)19-21-11-13-22(14-12-21)29(32)35-24-6-4-5-23(17-24)28-18-30-26-7-2-3-8-27(26)31-28/h2-18H,19H2,1H3