N-(4,6-dimethylpyrimidin-2-yl)-4-[(4-nitro-2,1,3-benzoxadiazol-5-yl)amino]benzenesulfonamide

Systemtic Name: N-(4,6-dimethylpyrimidin-2-yl)-4-[(4-nitro-2,1,3-benzoxadiazol-5-yl)amino]benzenesulfonamide Openeye Name: N-(4,6-dimethylpyrimidin-2-yl)-4-[(4-nitro-2,1,3-benzoxadiazol-5-yl)amino]benzenesulfonamide CAS Name: N-(4,6-dimethyl-2-pyrimidinyl)-4-[(4-nitro-2,1,3-benzoxadiazol-5-yl)amino]benzenesulfonamide IUPAC Name: N-(4,6-dimethylpyrimidin-2-yl)-4-[(4-nitro-2,1,3-benzoxadiazol-5-yl)amino]benzenesulfonamide Traditional Name: N-(4,6-dimethylpyrimidin-2-yl)-4-[(4-nitrobenzofurazan-5-yl)amino]benzenesulfonamide Formula: C18H15N7O5S MolecularWeight: 441.4206

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)NC3=C(C4=NON=C4C=C3)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)NC3=C(C4=NON=C4C=C3)[N+](=O)[O-])C

InChI

InChI=1S/C18H15N7O5S/c1-10-9-11(2)20-18(19-10)24-31(28,29)13-5-3-12(4-6-13)21-15-8-7-14-16(23-30-22-14)17(15)25(26)27/h3-9,21H,1-2H3,(H,19,20,24)