N-[3-[[4-[(4-methylphenyl)sulfonylamino]phenyl]amino]quinoxalin-2-yl]-3-nitro-benzenesulfonamide

Systemtic Name: N-[3-[[4-[(4-methylphenyl)sulfonylamino]phenyl]amino]quinoxalin-2-yl]-3-nitro-benzenesulfonamide Openeye Name: 3-nitro-N-[3-[4-(p-tolylsulfonylamino)anilino]quinoxalin-2-yl]benzenesulfonamide CAS Name: N-[3-[4-[(4-methylphenyl)sulfonylamino]anilino]-2-quinoxalinyl]-3-nitrobenzenesulfonamide IUPAC Name: N-[3-[4-[(4-methylphenyl)sulfonylamino]anilino]quinoxalin-2-yl]-3-nitrobenzenesulfonamide Traditional Name: 3-nitro-N-[3-[4-(tosylamino)anilino]quinoxalin-2-yl]benzenesulfonamide Formula: C27H22N6O6S2 MolecularWeight: 590.63018

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)NC3=NC4=CC=CC=C4N=C3NS(=O)(=O)C5=CC=CC(=C5)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)NC3=NC4=CC=CC=C4N=C3NS(=O)(=O)C5=CC=CC(=C5)[N+](=O)[O-]

InChI

InChI=1S/C27H22N6O6S2/c1-18-9-15-22(16-10-18)40(36,37)31-20-13-11-19(12-14-20)28-26-27(30-25-8-3-2-7-24(25)29-26)32-41(38,39)23-6-4-5-21(17-23)33(34)35/h2-17,31H,1H3,(H,28,29)(H,30,32)