methyl 2-[[3-[(4-chloranyl-3-nitro-phenyl)sulfonylamino]quinoxalin-2-yl]amino]benzoate

Systemtic Name: methyl 2-[[3-[(4-chloranyl-3-nitro-phenyl)sulfonylamino]quinoxalin-2-yl]amino]benzoate Openeye Name: methyl 2-[[3-[(4-chloro-3-nitro-phenyl)sulfonylamino]quinoxalin-2-yl]amino]benzoate CAS Name: 2-[[3-[(4-chloro-3-nitrophenyl)sulfonylamino]-2-quinoxalinyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[3-[(4-chloro-3-nitrophenyl)sulfonylamino]quinoxalin-2-yl]amino]benzoate Traditional Name: 2-[[3-[(4-chloro-3-nitro-phenyl)sulfonylamino]quinoxalin-2-yl]amino]benzoic acid methyl ester Formula: C22H16ClN5O6S MolecularWeight: 513.91034

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1NC2=NC3=CC=CC=C3N=C2NS(=O)(=O)C4=CC(=C(C=C4)Cl)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC=CC=C1NC2=NC3=CC=CC=C3N=C2NS(=O)(=O)C4=CC(=C(C=C4)Cl)[N+](=O)[O-]

InChI

InChI=1S/C22H16ClN5O6S/c1-34-22(29)14-6-2-3-7-16(14)24-20-21(26-18-9-5-4-8-17(18)25-20)27-35(32,33)13-10-11-15(23)19(12-13)28(30)31/h2-12H,1H3,(H,24,25)(H,26,27)