[4-(phenylmethyl)sulfonylphenyl]methyl 2,3-dimethylquinoxaline-6-carboxylate

Systemtic Name: [4-(phenylmethyl)sulfonylphenyl]methyl 2,3-dimethylquinoxaline-6-carboxylate Openeye Name: (4-benzylsulfonylphenyl)methyl 2,3-dimethylquinoxaline-6-carboxylate CAS Name: 2,3-dimethyl-6-quinoxalinecarboxylic acid [4-(phenylmethyl)sulfonylphenyl]methyl ester IUPAC Name: (4-benzylsulfonylphenyl)methyl 2,3-dimethylquinoxaline-6-carboxylate Traditional Name: 2,3-dimethylquinoxaline-6-carboxylic acid (4-benzylsulfonylbenzyl) ester Formula: C25H22N2O4S MolecularWeight: 446.51818

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=C(C=C2)C(=O)OCC3=CC=C(C=C3)S(=O)(=O)CC4=CC=CC=C4)N=C1C

Isomeric SMILES

CC1=NC2=C(C=C(C=C2)C(=O)OCC3=CC=C(C=C3)S(=O)(=O)CC4=CC=CC=C4)N=C1C

InChI

InChI=1S/C25H22N2O4S/c1-17-18(2)27-24-14-21(10-13-23(24)26-17)25(28)31-15-19-8-11-22(12-9-19)32(29,30)16-20-6-4-3-5-7-20/h3-14H,15-16H2,1-2H3