3-[[3-(3,4-dimethylphenyl)sulfonylazanidylquinoxalin-2-yl]amino]benzoate

Systemtic Name: 3-[[3-(3,4-dimethylphenyl)sulfonylazanidylquinoxalin-2-yl]amino]benzoate Openeye Name: 3-[[3-(3,4-dimethylphenyl)sulfonylazanidylquinoxalin-2-yl]amino]benzoate CAS Name: 3-[[3-(3,4-dimethylphenyl)sulfonylazanidyl-2-quinoxalinyl]amino]benzoate IUPAC Name: 3-[[3-(3,4-dimethylphenyl)sulfonylazanidylquinoxalin-2-yl]amino]benzoate Traditional Name: 3-[[3-(3,4-dimethylphenyl)sulfonylazanidylquinoxalin-2-yl]amino]benzoate Formula: C23H18N4O4S-2 MolecularWeight: 446.47842

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)[N-]C2=NC3=CC=CC=C3N=C2NC4=CC=CC(=C4)C(=O)[O-])C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)[N-]C2=NC3=CC=CC=C3N=C2NC4=CC=CC(=C4)C(=O)[O-])C

InChI

InChI=1S/C23H20N4O4S/c1-14-10-11-18(12-15(14)2)32(30,31)27-22-21(25-19-8-3-4-9-20(19)26-22)24-17-7-5-6-16(13-17)23(28)29/h3-13H,1-2H3,(H3,24,25,26,27,28,29)/p-2